4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

C14H11FN2O3 — CID 115730089

IUPAC4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)O)c2)cc1F
InChIInChI=1S/C14H11FN2O3/c1-8-2-3-10(7-11(8)15)17-13(18)9-4-5-16-12(6-9)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyXCIZTIHQCGHLGB-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.48
Rot. Bonds3

About 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730089) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730089
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)O)c2)cc1F
InChIInChI=1S/C14H11FN2O3/c1-8-2-3-10(7-11(8)15)17-13(18)9-4-5-16-12(6-9)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyXCIZTIHQCGHLGB-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

4-N-(3,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091879
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
2-N-(3,4-difluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091189
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
2-N-(3-chlorophenyl)-4-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091882
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 115730089) is 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(NC(=O)c2ccnc(C(=O)O)c2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XCIZTIHQCGHLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-8-2-3-10(7-11(8)15)17-13(18)9-4-5-16-12(6-9)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
4-[(3-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 4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).