5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine

C15H8Cl2F2N2O — CID 165124027

IUPAC5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine
SMILESCOc1cccc(F)c1-c1nc2nc(Cl)cc(Cl)c2cc1F
InChIInChI=1S/C15H8Cl2F2N2O/c1-22-11-4-2-3-9(18)13(11)14-10(19)5-7-8(16)6-12(17)20-15(7)21-14/h2-6H,1H3
InChIKeyIVJILCZCBDAKHC-UHFFFAOYSA-N
MW341.14 g/mol
LogP4.89
Rot. Bonds2

About 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine

5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine (PubChem CID 165124027) has the molecular formula C15H8Cl2F2N2O and a molecular weight of 341.14 g/mol. Its IUPAC name is 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine.

Molecular Properties

Compound Name5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine
PubChem CID165124027
Molecular FormulaC15H8Cl2F2N2O
Molecular Weight341.14 g/mol
Exact Mass340.00
IUPAC Name5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine
SMILESCOc1cccc(F)c1-c1nc2nc(Cl)cc(Cl)c2cc1F
InChIInChI=1S/C15H8Cl2F2N2O/c1-22-11-4-2-3-9(18)13(11)14-10(19)5-7-8(16)6-12(17)20-15(7)21-14/h2-6H,1H3
InChIKeyIVJILCZCBDAKHC-UHFFFAOYSA-N
XLogP4.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-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 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine?
The IUPAC name of 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine (CID 165124027) is 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine.
What is the SMILES notation for 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine?
The canonical SMILES for 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine is COc1cccc(F)c1-c1nc2nc(Cl)cc(Cl)c2cc1F.
What is the InChIKey of 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine?
The InChIKey is IVJILCZCBDAKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2O/c1-22-11-4-2-3-9(18)13(11)14-10(19)5-7-8(16)6-12(17)20-15(7)21-14/h2-6H,1H3.
What are the key properties of 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine?
5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine has a molecular weight of 341.14 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-fluoro-2-(2-fluoro-6-methoxyphenyl)-1,8-naphthyridine is sourced from PubChem (CID 165124027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).