2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid

C13H8F2N2O3 — CID 19154756

IUPAC2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H8F2N2O3/c14-9-4-3-7(6-10(9)15)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyRPIJJDJSDGKQEL-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.31
Rot. Bonds3

About 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid

2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 19154756) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID19154756
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H8F2N2O3/c14-9-4-3-7(6-10(9)15)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyRPIJJDJSDGKQEL-UHFFFAOYSA-N
XLogP2.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474858
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
2-[(4-fluoro-2-iodophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 79768537
2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735
2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615601

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 19154756) is 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is RPIJJDJSDGKQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-9-4-3-7(6-10(9)15)17-12(18)11-8(13(19)20)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 278.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 19154756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).