3-chlorobenzo[b][1,8]naphthyridine

C12H7ClN2 — CID 66875221

IUPAC3-chlorobenzo[b][1,8]naphthyridine
SMILESClc1cnc2nc3ccccc3cc2c1
InChIInChI=1S/C12H7ClN2/c13-10-6-9-5-8-3-1-2-4-11(8)15-12(9)14-7-10/h1-7H
InChIKeyKUNCSDBKQUGXHS-UHFFFAOYSA-N
MW214.66 g/mol
LogP3.44
Rot. Bonds

About 3-chlorobenzo[b][1,8]naphthyridine

3-chlorobenzo[b][1,8]naphthyridine (PubChem CID 66875221) has the molecular formula C12H7ClN2 and a molecular weight of 214.66 g/mol. Its IUPAC name is 3-chlorobenzo[b][1,8]naphthyridine.

Molecular Properties

Compound Name3-chlorobenzo[b][1,8]naphthyridine
PubChem CID66875221
Molecular FormulaC12H7ClN2
Molecular Weight214.66 g/mol
Exact Mass214.03
IUPAC Name3-chlorobenzo[b][1,8]naphthyridine
SMILESClc1cnc2nc3ccccc3cc2c1
InChIInChI=1S/C12H7ClN2/c13-10-6-9-5-8-3-1-2-4-11(8)15-12(9)14-7-10/h1-7H
InChIKeyKUNCSDBKQUGXHS-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-chlorobenzo[b][1,8]naphthyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzo[b][1,8]naphthyridine?
The IUPAC name of 3-chlorobenzo[b][1,8]naphthyridine (CID 66875221) is 3-chlorobenzo[b][1,8]naphthyridine.
What is the SMILES notation for 3-chlorobenzo[b][1,8]naphthyridine?
The canonical SMILES for 3-chlorobenzo[b][1,8]naphthyridine is Clc1cnc2nc3ccccc3cc2c1.
What is the InChIKey of 3-chlorobenzo[b][1,8]naphthyridine?
The InChIKey is KUNCSDBKQUGXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2/c13-10-6-9-5-8-3-1-2-4-11(8)15-12(9)14-7-10/h1-7H.
What are the key properties of 3-chlorobenzo[b][1,8]naphthyridine?
3-chlorobenzo[b][1,8]naphthyridine has a molecular weight of 214.66 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzo[b][1,8]naphthyridine is sourced from PubChem (CID 66875221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).