3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide

C13H8BrFN2O2 — CID 132933318

IUPAC3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide
SMILESO=C(NC(=O)c1ccncc1Br)c1ccccc1F
InChIInChI=1S/C13H8BrFN2O2/c14-10-7-16-6-5-8(10)12(18)17-13(19)9-3-1-2-4-11(9)15/h1-7H,(H,17,18,19)
InChIKeyYSSBRSVMUDWBSQ-UHFFFAOYSA-N
MW323.12 g/mol
LogP2.55
Rot. Bonds2

About 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide

3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide (PubChem CID 132933318) has the molecular formula C13H8BrFN2O2 and a molecular weight of 323.12 g/mol. Its IUPAC name is 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide
PubChem CID132933318
Molecular FormulaC13H8BrFN2O2
Molecular Weight323.12 g/mol
Exact Mass321.98
IUPAC Name3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide
SMILESO=C(NC(=O)c1ccncc1Br)c1ccccc1F
InChIInChI=1S/C13H8BrFN2O2/c14-10-7-16-6-5-8(10)12(18)17-13(19)9-3-1-2-4-11(9)15/h1-7H,(H,17,18,19)
InChIKeyYSSBRSVMUDWBSQ-UHFFFAOYSA-N
XLogP2.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

sodium 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboximidate
CID 132933317
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
(3-bromo-4-pyridinyl)-phenylmethanone
CID 102419732
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 114558544
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide?
The IUPAC name of 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide (CID 132933318) is 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide?
The canonical SMILES for 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide is O=C(NC(=O)c1ccncc1Br)c1ccccc1F.
What is the InChIKey of 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide?
The InChIKey is YSSBRSVMUDWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O2/c14-10-7-16-6-5-8(10)12(18)17-13(19)9-3-1-2-4-11(9)15/h1-7H,(H,17,18,19).
What are the key properties of 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide?
3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide has a molecular weight of 323.12 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-fluorobenzoyl)pyridine-4-carboxamide is sourced from PubChem (CID 132933318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).