1,8-naphthyridine-3-carbonitrile

C9H5N3 — CID 54038594

IUPAC1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2ncccc2c1
InChIInChI=1S/C9H5N3/c10-5-7-4-8-2-1-3-11-9(8)12-6-7/h1-4,6H
InChIKeyLKSJXDPHTNUEIJ-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.50
Rot. Bonds

About 1,8-naphthyridine-3-carbonitrile

1,8-naphthyridine-3-carbonitrile (PubChem CID 54038594) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1,8-naphthyridine-3-carbonitrile
PubChem CID54038594
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Name1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2ncccc2c1
InChIInChI=1S/C9H5N3/c10-5-7-4-8-2-1-3-11-9(8)12-6-7/h1-4,6H
InChIKeyLKSJXDPHTNUEIJ-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 1,8-naphthyridine-3-carbonitrile (CID 54038594) is 1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 1,8-naphthyridine-3-carbonitrile is N#Cc1cnc2ncccc2c1.
What is the InChIKey of 1,8-naphthyridine-3-carbonitrile?
The InChIKey is LKSJXDPHTNUEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c10-5-7-4-8-2-1-3-11-9(8)12-6-7/h1-4,6H.
What are the key properties of 1,8-naphthyridine-3-carbonitrile?
1,8-naphthyridine-3-carbonitrile has a molecular weight of 155.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 54038594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).