4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine

C10H6BrClF2N2O — CID 166484182

IUPAC4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
SMILESFC(F)COc1ncc(Br)c2cc(Cl)ncc12
InChIInChI=1S/C10H6BrClF2N2O/c11-7-3-16-10(17-4-9(13)14)6-2-15-8(12)1-5(6)7/h1-3,9H,4H2
InChIKeyGZZYDJMZFISZTM-UHFFFAOYSA-N
MW323.52 g/mol
LogP3.69
Rot. Bonds3

About 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine

4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine (PubChem CID 166484182) has the molecular formula C10H6BrClF2N2O and a molecular weight of 323.52 g/mol. Its IUPAC name is 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine.

Molecular Properties

Compound Name4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
PubChem CID166484182
Molecular FormulaC10H6BrClF2N2O
Molecular Weight323.52 g/mol
Exact Mass321.93
IUPAC Name4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
SMILESFC(F)COc1ncc(Br)c2cc(Cl)ncc12
InChIInChI=1S/C10H6BrClF2N2O/c11-7-3-16-10(17-4-9(13)14)6-2-15-8(12)1-5(6)7/h1-3,9H,4H2
InChIKeyGZZYDJMZFISZTM-UHFFFAOYSA-N
XLogP3.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine?
The IUPAC name of 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine (CID 166484182) is 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine.
What is the SMILES notation for 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine?
The canonical SMILES for 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine is FC(F)COc1ncc(Br)c2cc(Cl)ncc12.
What is the InChIKey of 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine?
The InChIKey is GZZYDJMZFISZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClF2N2O/c11-7-3-16-10(17-4-9(13)14)6-2-15-8(12)1-5(6)7/h1-3,9H,4H2.
What are the key properties of 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine?
4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine has a molecular weight of 323.52 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine is sourced from PubChem (CID 166484182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).