6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid

C14H13ClN2O2 — CID 130565238

IUPAC6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCc2ccccc2)c(Cl)cc1C(=O)O
InChIInChI=1S/C14H13ClN2O2/c1-9-11(14(18)19)7-12(15)13(17-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyCAPYVWZPTMXOGP-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.35
Rot. Bonds4

About 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid

6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid (PubChem CID 130565238) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid
PubChem CID130565238
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCc2ccccc2)c(Cl)cc1C(=O)O
InChIInChI=1S/C14H13ClN2O2/c1-9-11(14(18)19)7-12(15)13(17-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyCAPYVWZPTMXOGP-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid
CID 25109943
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
CID 20562052
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
CID 15404215
1-[4-(benzylamino)-5-chloropyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide
CID 118141236
5-chloro-6-formyl-2-methylpyridine-3-carboxylic acid
CID 175538652
N-benzyl-3-chloro-4-methylaniline
CID 18778604
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388
4-(benzylamino)-2-[(2-methylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 53215102

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid (CID 130565238) is 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid is Cc1nc(NCc2ccccc2)c(Cl)cc1C(=O)O.
What is the InChIKey of 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid?
The InChIKey is CAPYVWZPTMXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-11(14(18)19)7-12(15)13(17-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid?
6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 130565238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).