3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid

C14H11ClN2O3 — CID 104740205

IUPAC3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(Cl)cc(C(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H11ClN2O3/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyGKJLFAFQIJHHMK-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

About 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid

3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 104740205) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID104740205
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(Cl)cc(C(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H11ClN2O3/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyGKJLFAFQIJHHMK-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

3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
N-(2-bromophenyl)-3-chloro-5-methylbenzamide
CID 80948909
N-(2-bromo-3-chlorophenyl)-3-chloro-5-methylbenzamide
CID 103479767
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739652
2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
CID 81314313
3-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670919
3-[(6-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114035227
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 167884691

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid (CID 104740205) is 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid is Cc1cc(Cl)cc(C(=O)Nc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is GKJLFAFQIJHHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-5-9(7-10(15)6-8)13(18)17-11-3-2-4-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
3-[(3-chloro-5-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 3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).