3-(3,5-difluoro-4-pyridinyl)benzonitrile

C12H6F2N2 — CID 142452389

IUPAC3-(3,5-difluoro-4-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2c(F)cncc2F)c1
InChIInChI=1S/C12H6F2N2/c13-10-6-16-7-11(14)12(10)9-3-1-2-8(4-9)5-15/h1-4,6-7H
InChIKeyUHBNAELXFPQXOR-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.90
Rot. Bonds1

About 3-(3,5-difluoro-4-pyridinyl)benzonitrile

3-(3,5-difluoro-4-pyridinyl)benzonitrile (PubChem CID 142452389) has the molecular formula C12H6F2N2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-(3,5-difluoro-4-pyridinyl)benzonitrile
PubChem CID142452389
Molecular FormulaC12H6F2N2
Molecular Weight216.19 g/mol
Exact Mass216.05
IUPAC Name3-(3,5-difluoro-4-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2c(F)cncc2F)c1
InChIInChI=1S/C12H6F2N2/c13-10-6-16-7-11(14)12(10)9-3-1-2-8(4-9)5-15/h1-4,6-7H
InChIKeyUHBNAELXFPQXOR-UHFFFAOYSA-N
XLogP2.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-difluorophenyl)benzonitrile
CID 83810039
3-(2,4-difluoro-3-pyridinyl)benzonitrile
CID 68537562
3-(2,6-difluoro-3-hydroxyphenyl)benzonitrile
CID 56997957
5-fluoro-4-phenylpyridine-3-carbonitrile
CID 84668137
3-(2,6-dibromophenyl)benzonitrile
CID 153317641
3-(3,5-difluoro-4-methylphenyl)benzonitrile
CID 158541554
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
3-(5-formyl-3-pyridinyl)benzonitrile
CID 24729804
3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159122987
3-(5,6-dimethoxy-3-pyridinyl)benzonitrile
CID 90046523
3-(6-oxo-1H-pyrimidin-5-yl)benzonitrile
CID 106514390
5-(6-fluoro-2-pyridinyl)pyridine-3-carbonitrile
CID 71303551

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-pyridinyl)benzonitrile?
The IUPAC name of 3-(3,5-difluoro-4-pyridinyl)benzonitrile (CID 142452389) is 3-(3,5-difluoro-4-pyridinyl)benzonitrile.
What is the SMILES notation for 3-(3,5-difluoro-4-pyridinyl)benzonitrile?
The canonical SMILES for 3-(3,5-difluoro-4-pyridinyl)benzonitrile is N#Cc1cccc(-c2c(F)cncc2F)c1.
What is the InChIKey of 3-(3,5-difluoro-4-pyridinyl)benzonitrile?
The InChIKey is UHBNAELXFPQXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2/c13-10-6-16-7-11(14)12(10)9-3-1-2-8(4-9)5-15/h1-4,6-7H.
What are the key properties of 3-(3,5-difluoro-4-pyridinyl)benzonitrile?
3-(3,5-difluoro-4-pyridinyl)benzonitrile has a molecular weight of 216.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-pyridinyl)benzonitrile is sourced from PubChem (CID 142452389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).