2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile

C17H11N3 — CID 102437645

IUPAC2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)cnc1-c1ccccc1
InChIInChI=1S/C17H11N3/c18-11-15-10-16(13-6-8-19-9-7-13)12-20-17(15)14-4-2-1-3-5-14/h1-10,12H
InChIKeyZZQLXQLNUIPBJU-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.68
Rot. Bonds2

About 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile

2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 102437645) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID102437645
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)cnc1-c1ccccc1
InChIInChI=1S/C17H11N3/c18-11-15-10-16(13-6-8-19-9-7-13)12-20-17(15)14-4-2-1-3-5-14/h1-10,12H
InChIKeyZZQLXQLNUIPBJU-UHFFFAOYSA-N
XLogP3.68
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile (CID 102437645) is 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile is N#Cc1cc(-c2ccncc2)cnc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is ZZQLXQLNUIPBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-11-15-10-16(13-6-8-19-9-7-13)12-20-17(15)14-4-2-1-3-5-14/h1-10,12H.
What are the key properties of 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile?
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 102437645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).