2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid

C13H11ClN2O3 — CID 163399738

IUPAC2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1Nc1[nH]ccc(=O)c1C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-7-8(14)3-2-4-9(7)16-12-11(13(18)19)10(17)5-6-15-12/h2-6H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyLYLGPUAQDJRPEC-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.78
Rot. Bonds3

About 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid

2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 163399738) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid
PubChem CID163399738
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1Nc1[nH]ccc(=O)c1C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-7-8(14)3-2-4-9(7)16-12-11(13(18)19)10(17)5-6-15-12/h2-6H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyLYLGPUAQDJRPEC-UHFFFAOYSA-N
XLogP2.78
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110859043
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
CID 107095848
2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 63724282
2-(3-chloro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306588
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
copper bis(2-(3-chloro-2-methylanilino)benzoate)
CID 132532819
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-chloro-6-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 62501422
5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114046976

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid (CID 163399738) is 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid is Cc1c(Cl)cccc1Nc1[nH]ccc(=O)c1C(=O)O.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is LYLGPUAQDJRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7-8(14)3-2-4-9(7)16-12-11(13(18)19)10(17)5-6-15-12/h2-6H,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid?
2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 278.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 163399738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).