6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid

C13H11ClN2O2 — CID 82556214

IUPAC6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1-c1ccc(C(=O)O)nc1N
InChIInChI=1S/C13H11ClN2O2/c1-7-2-3-8(14)6-10(7)9-4-5-11(13(17)18)16-12(9)15/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyKQBOCTCFYYMOTK-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.99
Rot. Bonds2

About 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid

6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 82556214) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid
PubChem CID82556214
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1-c1ccc(C(=O)O)nc1N
InChIInChI=1S/C13H11ClN2O2/c1-7-2-3-8(14)6-10(7)9-4-5-11(13(17)18)16-12(9)15/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyKQBOCTCFYYMOTK-UHFFFAOYSA-N
XLogP2.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 68680448
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 82871862
6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090645
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
4-amino-6-chloroquinoline-2-carboxylic acid
CID 46398171
6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 82556241
5-(6-aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 90034345
6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403306
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 82119560
6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 82556225
3-[(4-chloro-2-methylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
CID 22388375

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid (CID 82556214) is 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid is Cc1ccc(Cl)cc1-c1ccc(C(=O)O)nc1N.
What is the InChIKey of 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is KQBOCTCFYYMOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-7-2-3-8(14)6-10(7)9-4-5-11(13(17)18)16-12(9)15/h2-6H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid?
6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 82556214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).