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

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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).