3-chloro-2,7-naphthyridin-1-amine

C8H6ClN3 — CID 133188466

IUPAC3-chloro-2,7-naphthyridin-1-amine
SMILESNc1nc(Cl)cc2ccncc12
InChIInChI=1S/C8H6ClN3/c9-7-3-5-1-2-11-4-6(5)8(10)12-7/h1-4H,(H2,10,12)
InChIKeyHZMCUCVOJXIVIR-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.87
Rot. Bonds

About 3-chloro-2,7-naphthyridin-1-amine

3-chloro-2,7-naphthyridin-1-amine (PubChem CID 133188466) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 3-chloro-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name3-chloro-2,7-naphthyridin-1-amine
PubChem CID133188466
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name3-chloro-2,7-naphthyridin-1-amine
SMILESNc1nc(Cl)cc2ccncc12
InChIInChI=1S/C8H6ClN3/c9-7-3-5-1-2-11-4-6(5)8(10)12-7/h1-4H,(H2,10,12)
InChIKeyHZMCUCVOJXIVIR-UHFFFAOYSA-N
XLogP1.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-chloro-2,7-naphthyridin-1-amine 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-chloro-2,7-naphthyridin-1-amine?
The IUPAC name of 3-chloro-2,7-naphthyridin-1-amine (CID 133188466) is 3-chloro-2,7-naphthyridin-1-amine.
What is the SMILES notation for 3-chloro-2,7-naphthyridin-1-amine?
The canonical SMILES for 3-chloro-2,7-naphthyridin-1-amine is Nc1nc(Cl)cc2ccncc12.
What is the InChIKey of 3-chloro-2,7-naphthyridin-1-amine?
The InChIKey is HZMCUCVOJXIVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-7-3-5-1-2-11-4-6(5)8(10)12-7/h1-4H,(H2,10,12).
What are the key properties of 3-chloro-2,7-naphthyridin-1-amine?
3-chloro-2,7-naphthyridin-1-amine has a molecular weight of 179.61 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,7-naphthyridin-1-amine is sourced from PubChem (CID 133188466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).