5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

C14H11ClN2O3 — CID 43414752

IUPAC5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H11ClN2O3/c1-8-2-4-10(15)6-12(8)17-13(18)9-3-5-11(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyTYFVGNGABWMAOO-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

About 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43414752) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43414752
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H11ClN2O3/c1-8-2-4-10(15)6-12(8)17-13(18)9-3-5-11(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyTYFVGNGABWMAOO-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

4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184893
5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 154778714
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 63723402
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43414752) is 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is TYFVGNGABWMAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-2-4-10(15)6-12(8)17-13(18)9-3-5-11(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(5-chloro-2-methylphenyl)carbamoyl]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-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43414752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).