7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine

C9H9ClN2 — CID 89240848

IUPAC7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine
SMILESCC1CC=c2ccc(Cl)nc2=N1
InChIInChI=1S/C9H9ClN2/c1-6-2-3-7-4-5-8(10)12-9(7)11-6/h3-6H,2H2,1H3
InChIKeyHXVOSSBLMBWYLL-UHFFFAOYSA-N
MW180.64 g/mol
LogP0.93
Rot. Bonds

About 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine

7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine (PubChem CID 89240848) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine
PubChem CID89240848
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine
SMILESCC1CC=c2ccc(Cl)nc2=N1
InChIInChI=1S/C9H9ClN2/c1-6-2-3-7-4-5-8(10)12-9(7)11-6/h3-6H,2H2,1H3
InChIKeyHXVOSSBLMBWYLL-UHFFFAOYSA-N
XLogP0.93
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-2-methyl-2,3-dihydro-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 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine?
The IUPAC name of 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine (CID 89240848) is 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine.
What is the SMILES notation for 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine?
The canonical SMILES for 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine is CC1CC=c2ccc(Cl)nc2=N1.
What is the InChIKey of 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine?
The InChIKey is HXVOSSBLMBWYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-2-3-7-4-5-8(10)12-9(7)11-6/h3-6H,2H2,1H3.
What are the key properties of 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine?
7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine has a molecular weight of 180.64 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-2,3-dihydro-1,8-naphthyridine is sourced from PubChem (CID 89240848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).