6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid

C14H11ClN2O3 — CID 106860571

IUPAC6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)O)n2)c(Cl)c1
InChIInChI=1S/C14H11ClN2O3/c1-8-5-6-9(10(15)7-8)13(18)17-12-4-2-3-11(16-12)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeySRYYNLJPCLRMSG-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

About 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid

6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 106860571) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID106860571
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)O)n2)c(Cl)c1
InChIInChI=1S/C14H11ClN2O3/c1-8-5-6-9(10(15)7-8)13(18)17-12-4-2-3-11(16-12)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeySRYYNLJPCLRMSG-UHFFFAOYSA-N
XLogP2.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-hydroxy-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63642015
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
6-[(3-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 82827110
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
3-[(2-chloro-4-methylbenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106860696
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
2-chloro-N-(2-iodophenyl)-4-methylbenzamide
CID 106491010
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid (CID 106860571) is 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid is Cc1ccc(C(=O)Nc2cccc(C(=O)O)n2)c(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is SRYYNLJPCLRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-5-6-9(10(15)7-8)13(18)17-12-4-2-3-11(16-12)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid?
6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 290.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106860571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).