Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 287979-27-5 | MDL No. : | MFCD00008476 |
Formula : | C9H8F3NO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JJRKMEKLZZJTEU-UHFFFAOYSA-N |
M.W : | 235.16 | Pubchem ID : | 2727182 |
Synonyms : |
|
Num. heavy atoms : | 16 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.33 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 7.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 47.01 |
TPSA : | 48.42 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.23 cm/s |
Log Po/w (iLOGP) : | 2.31 |
Log Po/w (XLOGP3) : | 2.12 |
Log Po/w (WLOGP) : | 3.07 |
Log Po/w (MLOGP) : | 1.25 |
Log Po/w (SILICOS-IT) : | 2.17 |
Consensus Log Po/w : | 2.18 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.58 |
Solubility : | 0.617 mg/ml ; 0.00262 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.77 |
Solubility : | 0.401 mg/ml ; 0.00171 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.14 |
Solubility : | 0.17 mg/ml ; 0.000724 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.98 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P301+P312-P302+P352-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
[ 1263276-73-8 ]
Ethyl 6-(2,2,2-trifluoroethoxy)nicotinate
Similarity: 0.97
[ 175204-90-7 ]
6-(2,2,2-Trifluoroethoxy)nicotinic acid
Similarity: 0.95
[ 1394023-51-8 ]
6-(2-Fluoroethoxy)nicotinic acid
Similarity: 0.89
[ 159981-19-8 ]
6-(2,2,2-Trifluoroethoxy)nicotinaldehyde
Similarity: 0.89
[ 183368-79-8 ]
2-(2,2,2-Trifluoroethoxy)nicotinic acid
Similarity: 0.88
[ 1263276-73-8 ]
Ethyl 6-(2,2,2-trifluoroethoxy)nicotinate
Similarity: 0.97
[ 175204-90-7 ]
6-(2,2,2-Trifluoroethoxy)nicotinic acid
Similarity: 0.95
[ 1394023-51-8 ]
6-(2-Fluoroethoxy)nicotinic acid
Similarity: 0.89
[ 159981-19-8 ]
6-(2,2,2-Trifluoroethoxy)nicotinaldehyde
Similarity: 0.89
[ 183368-79-8 ]
2-(2,2,2-Trifluoroethoxy)nicotinic acid
Similarity: 0.88
[ 1263276-73-8 ]
Ethyl 6-(2,2,2-trifluoroethoxy)nicotinate
Similarity: 0.97
[ 1263276-73-8 ]
Ethyl 6-(2,2,2-trifluoroethoxy)nicotinate
Similarity: 0.97
[ 175204-90-7 ]
6-(2,2,2-Trifluoroethoxy)nicotinic acid
Similarity: 0.95
[ 159981-19-8 ]
6-(2,2,2-Trifluoroethoxy)nicotinaldehyde
Similarity: 0.89
[ 183368-79-8 ]
2-(2,2,2-Trifluoroethoxy)nicotinic acid
Similarity: 0.88
[ 1263276-73-8 ]
Ethyl 6-(2,2,2-trifluoroethoxy)nicotinate
Similarity: 0.97
[ 175204-90-7 ]
6-(2,2,2-Trifluoroethoxy)nicotinic acid
Similarity: 0.95
[ 1394023-51-8 ]
6-(2-Fluoroethoxy)nicotinic acid
Similarity: 0.89
[ 159981-19-8 ]
6-(2,2,2-Trifluoroethoxy)nicotinaldehyde
Similarity: 0.89
[ 183368-79-8 ]
2-(2,2,2-Trifluoroethoxy)nicotinic acid
Similarity: 0.88