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. : | 1620569-20-1 | MDL No. : | MFCD28101720 |
Formula : | C9H11N3O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | LFMMLZUHQYAYHI-UHFFFAOYSA-N |
M.W : | 193.20 | Pubchem ID : | 84820097 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.22 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 53.8 |
TPSA : | 74.58 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.85 cm/s |
Log Po/w (iLOGP) : | 1.1 |
Log Po/w (XLOGP3) : | 0.89 |
Log Po/w (WLOGP) : | 1.4 |
Log Po/w (MLOGP) : | -0.41 |
Log Po/w (SILICOS-IT) : | 0.94 |
Consensus Log Po/w : | 0.78 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -1.72 |
Solubility : | 3.7 mg/ml ; 0.0192 mol/l |
Class : | Very soluble |
Log S (Ali) : | -2.04 |
Solubility : | 1.76 mg/ml ; 0.0091 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.32 |
Solubility : | 0.923 mg/ml ; 0.00478 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.55 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 13362-28-2 ]
2-Amino-4-pyridinecarboxylic acid
Similarity: 0.80
[ 532440-94-1 ]
2-Amino-5-methylnicotinic acid
Similarity: 0.69
[ 13362-28-2 ]
2-Amino-4-pyridinecarboxylic acid
Similarity: 0.80
[ 532440-94-1 ]
2-Amino-5-methylnicotinic acid
Similarity: 0.69
[ 222986-51-8 ]
4-(6-Aminopyridin-3-yl)benzoic acid
Similarity: 0.69
[ 13362-28-2 ]
2-Amino-4-pyridinecarboxylic acid
Similarity: 0.80