2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile

C15H9FN4 — CID 174616543

IUPAC2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cn(-c3cccnc3)cn2)ccc1F
InChIInChI=1S/C15H9FN4/c16-14-4-3-11(6-12(14)7-17)15-9-20(10-19-15)13-2-1-5-18-8-13/h1-6,8-10H
InChIKeyNSKVHPQTGVWFPP-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.95
Rot. Bonds2

About 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile

2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile (PubChem CID 174616543) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile
PubChem CID174616543
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cn(-c3cccnc3)cn2)ccc1F
InChIInChI=1S/C15H9FN4/c16-14-4-3-11(6-12(14)7-17)15-9-20(10-19-15)13-2-1-5-18-8-13/h1-6,8-10H
InChIKeyNSKVHPQTGVWFPP-UHFFFAOYSA-N
XLogP2.95
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile (CID 174616543) is 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile is N#Cc1cc(-c2cn(-c3cccnc3)cn2)ccc1F.
What is the InChIKey of 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile?
The InChIKey is NSKVHPQTGVWFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-14-4-3-11(6-12(14)7-17)15-9-20(10-19-15)13-2-1-5-18-8-13/h1-6,8-10H.
What are the key properties of 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile?
2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile has a molecular weight of 264.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-pyridin-3-ylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 174616543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).