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

C14H11ClN2O3 — CID 107096027

IUPAC5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H11ClN2O3/c1-8-10(3-2-4-11(8)15)13(18)17-9-5-6-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDGFZZMOFRCGVAM-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

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

5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 107096027) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID107096027
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H11ClN2O3/c1-8-10(3-2-4-11(8)15)13(18)17-9-5-6-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDGFZZMOFRCGVAM-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-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
5-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670888
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53223446
5-acetamidopyridine-2-carboxylic acid
CID 5278292
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
CID 107096909
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid (CID 107096027) is 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid is Cc1c(Cl)cccc1C(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is DGFZZMOFRCGVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-10(3-2-4-11(8)15)13(18)17-9-5-6-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid?
5-[(3-chloro-2-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 5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107096027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).