7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine

C10H13ClN2 — CID 141108596

IUPAC7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine
SMILESCC1(C)CNc2nc(Cl)ccc2C1
InChIInChI=1S/C10H13ClN2/c1-10(2)5-7-3-4-8(11)13-9(7)12-6-10/h3-4H,5-6H2,1-2H3,(H,12,13)
InChIKeyMYDGWURLJXYPNY-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.73
Rot. Bonds

About 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine

7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine (PubChem CID 141108596) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine
PubChem CID141108596
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine
SMILESCC1(C)CNc2nc(Cl)ccc2C1
InChIInChI=1S/C10H13ClN2/c1-10(2)5-7-3-4-8(11)13-9(7)12-6-10/h3-4H,5-6H2,1-2H3,(H,12,13)
InChIKeyMYDGWURLJXYPNY-UHFFFAOYSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-3,3-dimethyl-2,4-dihydro-1H-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-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine (CID 141108596) is 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine is CC1(C)CNc2nc(Cl)ccc2C1.
What is the InChIKey of 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine?
The InChIKey is MYDGWURLJXYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-10(2)5-7-3-4-8(11)13-9(7)12-6-10/h3-4H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine?
7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine has a molecular weight of 196.68 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 141108596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).