5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid

C13H8F2N2O3 — CID 43414716

IUPAC5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1c(F)cccc1F)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H8F2N2O3/c14-8-2-1-3-9(15)11(8)17-12(18)7-4-5-10(13(19)20)16-6-7/h1-6H,(H,17,18)(H,19,20)
InChIKeyPVOOMPLUQVSODD-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.31
Rot. Bonds3

About 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid

5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43414716) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43414716
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC Name5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1c(F)cccc1F)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H8F2N2O3/c14-8-2-1-3-9(15)11(8)17-12(18)7-4-5-10(13(19)20)16-6-7/h1-6H,(H,17,18)(H,19,20)
InChIKeyPVOOMPLUQVSODD-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

5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
5-[(2,6-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725320
6-amino-N-(2,6-difluorophenyl)pyridine-3-carboxamide
CID 62155427
6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82803080
5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 119136012
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
6-[(6-fluoropyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 114036709
5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113238409
5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 103644305

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43414716) is 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1c(F)cccc1F)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is PVOOMPLUQVSODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-8-2-1-3-9(15)11(8)17-12(18)7-4-5-10(13(19)20)16-6-7/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-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 5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43414716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).