6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid

C13H9FN2O3 — CID 61318981

IUPAC6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C13H9FN2O3/c14-10-3-1-2-8(6-10)12(17)16-11-5-4-9(7-15-11)13(18)19/h1-7H,(H,18,19)(H,15,16,17)
InChIKeyYTDXBBABFOGZJZ-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.17
Rot. Bonds3

About 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid

6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 61318981) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID61318981
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(F)c2)nc1
InChIInChI=1S/C13H9FN2O3/c14-10-3-1-2-8(6-10)12(17)16-11-5-4-9(7-15-11)13(18)19/h1-7H,(H,18,19)(H,15,16,17)
InChIKeyYTDXBBABFOGZJZ-UHFFFAOYSA-N
XLogP2.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 113452818
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
CID 61319190
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
6-[(5-fluoro-2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 115298481
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 22099714
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid (CID 61318981) is 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cccc(F)c2)nc1.
What is the InChIKey of 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is YTDXBBABFOGZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c14-10-3-1-2-8(6-10)12(17)16-11-5-4-9(7-15-11)13(18)19/h1-7H,(H,18,19)(H,15,16,17).
What are the key properties of 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 260.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61318981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).