2-chloro-1H-1,8-naphthyridin-2-amine

C8H8ClN3 — CID 150044917

IUPAC2-chloro-1H-1,8-naphthyridin-2-amine
SMILESNC1(Cl)C=Cc2cccnc2N1
InChIInChI=1S/C8H8ClN3/c9-8(10)4-3-6-2-1-5-11-7(6)12-8/h1-5H,10H2,(H,11,12)
InChIKeyDKBOGBUHNYDSLO-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.37
Rot. Bonds

About 2-chloro-1H-1,8-naphthyridin-2-amine

2-chloro-1H-1,8-naphthyridin-2-amine (PubChem CID 150044917) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 2-chloro-1H-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Name2-chloro-1H-1,8-naphthyridin-2-amine
PubChem CID150044917
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name2-chloro-1H-1,8-naphthyridin-2-amine
SMILESNC1(Cl)C=Cc2cccnc2N1
InChIInChI=1S/C8H8ClN3/c9-8(10)4-3-6-2-1-5-11-7(6)12-8/h1-5H,10H2,(H,11,12)
InChIKeyDKBOGBUHNYDSLO-UHFFFAOYSA-N
XLogP1.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-1H-1,8-naphthyridin-2-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 2-chloro-1H-1,8-naphthyridin-2-amine?
The IUPAC name of 2-chloro-1H-1,8-naphthyridin-2-amine (CID 150044917) is 2-chloro-1H-1,8-naphthyridin-2-amine.
What is the SMILES notation for 2-chloro-1H-1,8-naphthyridin-2-amine?
The canonical SMILES for 2-chloro-1H-1,8-naphthyridin-2-amine is NC1(Cl)C=Cc2cccnc2N1.
What is the InChIKey of 2-chloro-1H-1,8-naphthyridin-2-amine?
The InChIKey is DKBOGBUHNYDSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-8(10)4-3-6-2-1-5-11-7(6)12-8/h1-5H,10H2,(H,11,12).
What are the key properties of 2-chloro-1H-1,8-naphthyridin-2-amine?
2-chloro-1H-1,8-naphthyridin-2-amine has a molecular weight of 181.63 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-1,8-naphthyridin-2-amine is sourced from PubChem (CID 150044917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).