3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid

C13H8BrFN2O3 — CID 114558544

IUPAC3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H8BrFN2O3/c14-8-2-1-3-9(15)11(8)12(18)17-10-6-16-5-4-7(10)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyFMPFZVAESJLPNS-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.93
Rot. Bonds3

About 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid

3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid (PubChem CID 114558544) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
PubChem CID114558544
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H8BrFN2O3/c14-8-2-1-3-9(15)11(8)12(18)17-10-6-16-5-4-7(10)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyFMPFZVAESJLPNS-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
3-(2,6-dibromoanilino)pyridine-4-carboxylic acid
CID 107600894
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 81266249
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
2-bromo-6-fluoro-N-naphthalen-1-ylbenzamide
CID 115678062
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 114558539
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid (CID 114558544) is 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NC(=O)c1c(F)cccc1Br.
What is the InChIKey of 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid?
The InChIKey is FMPFZVAESJLPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-8-2-1-3-9(15)11(8)12(18)17-10-6-16-5-4-7(10)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid?
3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid has a molecular weight of 339.12 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114558544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).