2-quinolin-3-ylpyridine-4-carbonitrile

C15H9N3 — CID 56718080

IUPAC2-quinolin-3-ylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C15H9N3/c16-9-11-5-6-17-15(7-11)13-8-12-3-1-2-4-14(12)18-10-13/h1-8,10H
InChIKeyBPFHSFFOXDPUNA-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.17
Rot. Bonds1

About 2-quinolin-3-ylpyridine-4-carbonitrile

2-quinolin-3-ylpyridine-4-carbonitrile (PubChem CID 56718080) has the molecular formula C15H9N3 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-quinolin-3-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-quinolin-3-ylpyridine-4-carbonitrile
PubChem CID56718080
Molecular FormulaC15H9N3
Molecular Weight231.26 g/mol
Exact Mass231.08
IUPAC Name2-quinolin-3-ylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C15H9N3/c16-9-11-5-6-17-15(7-11)13-8-12-3-1-2-4-14(12)18-10-13/h1-8,10H
InChIKeyBPFHSFFOXDPUNA-UHFFFAOYSA-N
XLogP3.17
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-ylpyridine-4-carbonitrile?
The IUPAC name of 2-quinolin-3-ylpyridine-4-carbonitrile (CID 56718080) is 2-quinolin-3-ylpyridine-4-carbonitrile.
What is the SMILES notation for 2-quinolin-3-ylpyridine-4-carbonitrile?
The canonical SMILES for 2-quinolin-3-ylpyridine-4-carbonitrile is N#Cc1ccnc(-c2cnc3ccccc3c2)c1.
What is the InChIKey of 2-quinolin-3-ylpyridine-4-carbonitrile?
The InChIKey is BPFHSFFOXDPUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3/c16-9-11-5-6-17-15(7-11)13-8-12-3-1-2-4-14(12)18-10-13/h1-8,10H.
What are the key properties of 2-quinolin-3-ylpyridine-4-carbonitrile?
2-quinolin-3-ylpyridine-4-carbonitrile has a molecular weight of 231.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-ylpyridine-4-carbonitrile is sourced from PubChem (CID 56718080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).