4-(1,7-naphthyridin-5-yl)benzonitrile

C15H9N3 — CID 174888795

IUPAC4-(1,7-naphthyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2cncc3ncccc23)cc1
InChIInChI=1S/C15H9N3/c16-8-11-3-5-12(6-4-11)14-9-17-10-15-13(14)2-1-7-18-15/h1-7,9-10H
InChIKeyBGRQEGXWFZZRDN-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.17
Rot. Bonds1

About 4-(1,7-naphthyridin-5-yl)benzonitrile

4-(1,7-naphthyridin-5-yl)benzonitrile (PubChem CID 174888795) has the molecular formula C15H9N3 and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-(1,7-naphthyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(1,7-naphthyridin-5-yl)benzonitrile
PubChem CID174888795
Molecular FormulaC15H9N3
Molecular Weight231.26 g/mol
Exact Mass231.08
IUPAC Name4-(1,7-naphthyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2cncc3ncccc23)cc1
InChIInChI=1S/C15H9N3/c16-8-11-3-5-12(6-4-11)14-9-17-10-15-13(14)2-1-7-18-15/h1-7,9-10H
InChIKeyBGRQEGXWFZZRDN-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

Analyze 4-(1,7-naphthyridin-5-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-1,7-naphthyridine
CID 126647714
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
4-[4-(3-bromo-5-quinolin-5-ylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 155195864
pyrrolo[3,4-d][1]benzazepine
CID 70490498
4-phenylisoquinoline;quinoline-3-carbonitrile
CID 174493655
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
4-[4-[6-(3-bromo-5-quinolin-5-ylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]benzonitrile
CID 155708623
4-thieno[2,3-b]pyridin-4-ylbenzonitrile
CID 132554240
4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175995945
4-(3-sulfanyl-4-pyridinyl)benzonitrile
CID 67997061
4-pyridin-4-ylbenzonitrile
CID 4184629
5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile
CID 59860010

Frequently Asked Questions

What is the IUPAC name of 4-(1,7-naphthyridin-5-yl)benzonitrile?
The IUPAC name of 4-(1,7-naphthyridin-5-yl)benzonitrile (CID 174888795) is 4-(1,7-naphthyridin-5-yl)benzonitrile.
What is the SMILES notation for 4-(1,7-naphthyridin-5-yl)benzonitrile?
The canonical SMILES for 4-(1,7-naphthyridin-5-yl)benzonitrile is N#Cc1ccc(-c2cncc3ncccc23)cc1.
What is the InChIKey of 4-(1,7-naphthyridin-5-yl)benzonitrile?
The InChIKey is BGRQEGXWFZZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3/c16-8-11-3-5-12(6-4-11)14-9-17-10-15-13(14)2-1-7-18-15/h1-7,9-10H.
What are the key properties of 4-(1,7-naphthyridin-5-yl)benzonitrile?
4-(1,7-naphthyridin-5-yl)benzonitrile 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 4-(1,7-naphthyridin-5-yl)benzonitrile is sourced from PubChem (CID 174888795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).