5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

C14H11FN2O3 — CID 43414745

IUPAC5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(C(=O)O)nc2)c(F)c1
InChIInChI=1S/C14H11FN2O3/c1-8-2-4-11(10(15)6-8)17-13(18)9-3-5-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyWIDFJMPOYUGVDU-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.48
Rot. Bonds3

About 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43414745) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43414745
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(C(=O)O)nc2)c(F)c1
InChIInChI=1S/C14H11FN2O3/c1-8-2-4-11(10(15)6-8)17-13(18)9-3-5-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyWIDFJMPOYUGVDU-UHFFFAOYSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(2-fluoro-4-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639628
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(2,4-difluorophenyl)-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109162562
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414716
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43414745) is 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(NC(=O)c2ccc(C(=O)O)nc2)c(F)c1.
What is the InChIKey of 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WIDFJMPOYUGVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-8-2-4-11(10(15)6-8)17-13(18)9-3-5-12(14(19)20)16-7-9/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 274.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43414745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).