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

C12H6BrFN2 — CID 22285297

IUPAC2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1cc(Br)ccc1F
InChIInChI=1S/C12H6BrFN2/c13-9-3-4-11(14)10(6-9)12-8(7-15)2-1-5-16-12/h1-6H
InChIKeyHZWDVQBQUFRXTO-UHFFFAOYSA-N
MW277.10 g/mol
LogP3.52
Rot. Bonds1

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

2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 22285297) has the molecular formula C12H6BrFN2 and a molecular weight of 277.10 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile
PubChem CID22285297
Molecular FormulaC12H6BrFN2
Molecular Weight277.10 g/mol
Exact Mass275.97
IUPAC Name2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1cc(Br)ccc1F
InChIInChI=1S/C12H6BrFN2/c13-9-3-4-11(14)10(6-9)12-8(7-15)2-1-5-16-12/h1-6H
InChIKeyHZWDVQBQUFRXTO-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 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile (CID 22285297) is 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile is N#Cc1cccnc1-c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is HZWDVQBQUFRXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2/c13-9-3-4-11(14)10(6-9)12-8(7-15)2-1-5-16-12/h1-6H.
What are the key properties of 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile?
2-(5-bromo-2-fluorophenyl)pyridine-3-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 2-(5-bromo-2-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 22285297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).