6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H10F2N2O3 — CID 82803080

IUPAC6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(NC(=O)c2ccc(C(=O)O)cn2)c1F
InChIInChI=1S/C14H10F2N2O3/c1-7-2-4-9(15)12(11(7)16)18-13(19)10-5-3-8(6-17-10)14(20)21/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyPBYSNMFGBMHRET-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.62
Rot. Bonds3

About 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 82803080) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID82803080
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(NC(=O)c2ccc(C(=O)O)cn2)c1F
InChIInChI=1S/C14H10F2N2O3/c1-7-2-4-9(15)12(11(7)16)18-13(19)10-5-3-8(6-17-10)14(20)21/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyPBYSNMFGBMHRET-UHFFFAOYSA-N
XLogP2.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluoro-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 82819363
5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414716
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
5-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 104638966
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
4-amino-N-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 82820376
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107370115

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 82803080) is 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is Cc1ccc(F)c(NC(=O)c2ccc(C(=O)O)cn2)c1F.
What is the InChIKey of 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is PBYSNMFGBMHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-7-2-4-9(15)12(11(7)16)18-13(19)10-5-3-8(6-17-10)14(20)21/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 292.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82803080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).