4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile

C17H10FN3 — CID 175701819

IUPAC4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccccn2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H10FN3/c18-14-6-4-12(5-7-14)15-9-17(21-11-13(15)10-19)16-3-1-2-8-20-16/h1-9,11H
InChIKeyVROVBLIXTAQQDE-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.82
Rot. Bonds2

About 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile

4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile (PubChem CID 175701819) has the molecular formula C17H10FN3 and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile
PubChem CID175701819
Molecular FormulaC17H10FN3
Molecular Weight275.29 g/mol
Exact Mass275.09
IUPAC Name4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2ccccn2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H10FN3/c18-14-6-4-12(5-7-14)15-9-17(21-11-13(15)10-19)16-3-1-2-8-20-16/h1-9,11H
InChIKeyVROVBLIXTAQQDE-UHFFFAOYSA-N
XLogP3.82
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile (CID 175701819) is 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile is N#Cc1cnc(-c2ccccn2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile?
The InChIKey is VROVBLIXTAQQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3/c18-14-6-4-12(5-7-14)15-9-17(21-11-13(15)10-19)16-3-1-2-8-20-16/h1-9,11H.
What are the key properties of 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile has a molecular weight of 275.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-pyridin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 175701819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).