7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine

C16H13BrN2O — CID 11771825

IUPAC7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine
SMILESCCOc1cc(-c2ccccc2)nc2nc(Br)ccc12
InChIInChI=1S/C16H13BrN2O/c1-2-20-14-10-13(11-6-4-3-5-7-11)18-16-12(14)8-9-15(17)19-16/h3-10H,2H2,1H3
InChIKeyKLQJOMKIBCTFIK-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.46
Rot. Bonds3

About 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine

7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine (PubChem CID 11771825) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine.

Molecular Properties

Compound Name7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine
PubChem CID11771825
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine
SMILESCCOc1cc(-c2ccccc2)nc2nc(Br)ccc12
InChIInChI=1S/C16H13BrN2O/c1-2-20-14-10-13(11-6-4-3-5-7-11)18-16-12(14)8-9-15(17)19-16/h3-10H,2H2,1H3
InChIKeyKLQJOMKIBCTFIK-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.46
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 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine?
The IUPAC name of 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine (CID 11771825) is 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine.
What is the SMILES notation for 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine?
The canonical SMILES for 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine is CCOc1cc(-c2ccccc2)nc2nc(Br)ccc12.
What is the InChIKey of 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine?
The InChIKey is KLQJOMKIBCTFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-2-20-14-10-13(11-6-4-3-5-7-11)18-16-12(14)8-9-15(17)19-16/h3-10H,2H2,1H3.
What are the key properties of 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine?
7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine has a molecular weight of 329.20 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine is sourced from PubChem (CID 11771825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).