2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile

C13H11FN2 — CID 144806361

IUPAC2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile
SMILESCN1C=CC=CC1c1ccc(F)c(C#N)c1
InChIInChI=1S/C13H11FN2/c1-16-7-3-2-4-13(16)10-5-6-12(14)11(8-10)9-15/h2-8,13H,1H3
InChIKeyZVJBPRCYTGYGIP-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.75
Rot. Bonds1

About 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile

2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile (PubChem CID 144806361) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile
PubChem CID144806361
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile
SMILESCN1C=CC=CC1c1ccc(F)c(C#N)c1
InChIInChI=1S/C13H11FN2/c1-16-7-3-2-4-13(16)10-5-6-12(14)11(8-10)9-15/h2-8,13H,1H3
InChIKeyZVJBPRCYTGYGIP-UHFFFAOYSA-N
XLogP2.75
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile (CID 144806361) is 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile is CN1C=CC=CC1c1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile?
The InChIKey is ZVJBPRCYTGYGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2/c1-16-7-3-2-4-13(16)10-5-6-12(14)11(8-10)9-15/h2-8,13H,1H3.
What are the key properties of 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile?
2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile has a molecular weight of 214.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methyl-2H-pyridin-2-yl)benzonitrile is sourced from PubChem (CID 144806361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).