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. : | 59782-86-4 | MDL No. : | MFCD08276959 |
Formula : | C6H3ClINO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QDUZEGLVAGFGRA-UHFFFAOYSA-N |
M.W : | 283.45 | Pubchem ID : | 12629792 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 48.92 |
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) : | -6.62 cm/s |
Log Po/w (iLOGP) : | 1.27 |
Log Po/w (XLOGP3) : | 1.99 |
Log Po/w (WLOGP) : | 2.04 |
Log Po/w (MLOGP) : | 0.41 |
Log Po/w (SILICOS-IT) : | 2.37 |
Consensus Log Po/w : | 1.61 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -3.19 |
Solubility : | 0.184 mg/ml ; 0.000648 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.67 |
Solubility : | 0.606 mg/ml ; 0.00214 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.96 |
Solubility : | 0.31 mg/ml ; 0.00109 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 1.94 |
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.
[ 78686-83-6 ]
Methyl 2-chloro-5-iodonicotinate
Similarity: 0.95
[ 30529-70-5 ]
2-Chloro-6-methylnicotinic acid
Similarity: 0.81
[ 120003-75-0 ]
2-Chloro-5,6-dimethylnicotinic acid
Similarity: 0.81
[ 185041-05-8 ]
Methyl 2-chloro-4-iodonicotinate
Similarity: 0.80
[ 30529-70-5 ]
2-Chloro-6-methylnicotinic acid
Similarity: 0.81
[ 120003-75-0 ]
2-Chloro-5,6-dimethylnicotinic acid
Similarity: 0.81
[ 66662-48-4 ]
2-Chloro-4,6-dimethylnicotinic acid
Similarity: 0.78
[ 78686-83-6 ]
Methyl 2-chloro-5-iodonicotinate
Similarity: 0.95
[ 30529-70-5 ]
2-Chloro-6-methylnicotinic acid
Similarity: 0.81
[ 120003-75-0 ]
2-Chloro-5,6-dimethylnicotinic acid
Similarity: 0.81