3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile

C13H6BrFN2O — CID 59327522

IUPAC3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H6BrFN2O/c14-10-6-8(3-4-11(10)15)13(18)9-2-1-5-17-12(9)7-16/h1-6H
InChIKeyUSESMGYYWVQSEH-UHFFFAOYSA-N
MW305.11 g/mol
LogP3.09
Rot. Bonds2

About 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile

3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile (PubChem CID 59327522) has the molecular formula C13H6BrFN2O and a molecular weight of 305.11 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile
PubChem CID59327522
Molecular FormulaC13H6BrFN2O
Molecular Weight305.11 g/mol
Exact Mass303.96
IUPAC Name3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H6BrFN2O/c14-10-6-8(3-4-11(10)15)13(18)9-2-1-5-17-12(9)7-16/h1-6H
InChIKeyUSESMGYYWVQSEH-UHFFFAOYSA-N
XLogP3.09
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
CID 82809025
3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile
CID 59797225
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone
CID 114905760
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912
3-bromo-4-fluorobenzoyl bromide
CID 3018761

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile (CID 59327522) is 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile is N#Cc1ncccc1C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile?
The InChIKey is USESMGYYWVQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrFN2O/c14-10-6-8(3-4-11(10)15)13(18)9-2-1-5-17-12(9)7-16/h1-6H.
What are the key properties of 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile?
3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile has a molecular weight of 305.11 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile is sourced from PubChem (CID 59327522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).