3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile

C12H6BrFN2 — CID 22473547

IUPAC3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1cc(Br)ccc1F
InChIInChI=1S/C12H6BrFN2/c13-8-3-4-11(14)10(6-8)9-2-1-5-16-12(9)7-15/h1-6H
InChIKeyNCROSAMBJDPICT-UHFFFAOYSA-N
MW277.10 g/mol
LogP3.52
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile

3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile (PubChem CID 22473547) has the molecular formula C12H6BrFN2 and a molecular weight of 277.10 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile
PubChem CID22473547
Molecular FormulaC12H6BrFN2
Molecular Weight277.10 g/mol
Exact Mass275.97
IUPAC Name3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1cc(Br)ccc1F
InChIInChI=1S/C12H6BrFN2/c13-8-3-4-11(14)10(6-8)9-2-1-5-16-12(9)7-15/h1-6H
InChIKeyNCROSAMBJDPICT-UHFFFAOYSA-N
XLogP3.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile (CID 22473547) is 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile is N#Cc1ncccc1-c1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile?
The InChIKey is NCROSAMBJDPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2/c13-8-3-4-11(14)10(6-8)9-2-1-5-16-12(9)7-15/h1-6H.
What are the key properties of 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile?
3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile has a molecular weight of 277.10 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 22473547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).