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) ]} | {[ 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. : | 514798-17-5 | MDL No. : | MFCD18256604 |
Formula : | C6H2BrClFNO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | BCHIHNFJSXHACA-UHFFFAOYSA-N |
M.W : | 254.44 | Pubchem ID : | 11076007 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 43.86 |
TPSA : | 50.19 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.11 cm/s |
Log Po/w (iLOGP) : | 1.42 |
Log Po/w (XLOGP3) : | 2.46 |
Log Po/w (WLOGP) : | 2.75 |
Log Po/w (MLOGP) : | 0.67 |
Log Po/w (SILICOS-IT) : | 2.53 |
Consensus Log Po/w : | 1.97 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -3.27 |
Solubility : | 0.136 mg/ml ; 0.000535 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.16 |
Solubility : | 0.177 mg/ml ; 0.000695 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.15 |
Solubility : | 0.18 mg/ml ; 0.000706 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.04 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-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.
[ 128073-01-8 ]
3-Chloro-5-fluoropicolinic acid
Similarity: 0.87
[ 1052714-46-1 ]
6-Bromo-5-fluoropicolinic acid
Similarity: 0.81
[ 1210419-26-3 ]
Methyl 6-bromo-5-fluoropicolinate
Similarity: 0.76
[ 80194-68-9 ]
3-Chloro-5-(trifluoromethyl)picolinic acid
Similarity: 0.69
[ 514798-01-7 ]
2-Bromo-5-chloro-3-fluoroisonicotinic acid
Similarity: 0.68
[ 1052714-46-1 ]
6-Bromo-5-fluoropicolinic acid
Similarity: 0.81
[ 1210419-26-3 ]
Methyl 6-bromo-5-fluoropicolinate
Similarity: 0.76
[ 1189513-51-6 ]
5-Bromo-3-chloropicolinic acid
Similarity: 0.71
[ 1060811-25-7 ]
6-Bromo-4-chloropicolinic acid
Similarity: 0.70
[ 514798-01-7 ]
2-Bromo-5-chloro-3-fluoroisonicotinic acid
Similarity: 0.68
[ 128073-01-8 ]
3-Chloro-5-fluoropicolinic acid
Similarity: 0.87
[ 1189513-51-6 ]
5-Bromo-3-chloropicolinic acid
Similarity: 0.71
[ 1060811-25-7 ]
6-Bromo-4-chloropicolinic acid
Similarity: 0.70
[ 80194-68-9 ]
3-Chloro-5-(trifluoromethyl)picolinic acid
Similarity: 0.69
[ 128073-01-8 ]
3-Chloro-5-fluoropicolinic acid
Similarity: 0.87
[ 1052714-46-1 ]
6-Bromo-5-fluoropicolinic acid
Similarity: 0.81
[ 1189513-51-6 ]
5-Bromo-3-chloropicolinic acid
Similarity: 0.71
[ 1060811-25-7 ]
6-Bromo-4-chloropicolinic acid
Similarity: 0.70
[ 128073-01-8 ]
3-Chloro-5-fluoropicolinic acid
Similarity: 0.87
[ 1052714-46-1 ]
6-Bromo-5-fluoropicolinic acid
Similarity: 0.81
[ 1210419-26-3 ]
Methyl 6-bromo-5-fluoropicolinate
Similarity: 0.76
[ 1189513-51-6 ]
5-Bromo-3-chloropicolinic acid
Similarity: 0.71