3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine

C15H9BrF2N2O — CID 90417593

IUPAC3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine
SMILESFc1ccc(COc2cnc3cc(Br)cnc3c2)cc1F
InChIInChI=1S/C15H9BrF2N2O/c16-10-4-14-15(19-6-10)5-11(7-20-14)21-8-9-1-2-12(17)13(18)3-9/h1-7H,8H2
InChIKeyYXOIRDHBYYRVHO-UHFFFAOYSA-N
MW351.15 g/mol
LogP4.25
Rot. Bonds3

About 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine

3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine (PubChem CID 90417593) has the molecular formula C15H9BrF2N2O and a molecular weight of 351.15 g/mol. Its IUPAC name is 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine
PubChem CID90417593
Molecular FormulaC15H9BrF2N2O
Molecular Weight351.15 g/mol
Exact Mass349.99
IUPAC Name3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine
SMILESFc1ccc(COc2cnc3cc(Br)cnc3c2)cc1F
InChIInChI=1S/C15H9BrF2N2O/c16-10-4-14-15(19-6-10)5-11(7-20-14)21-8-9-1-2-12(17)13(18)3-9/h1-7H,8H2
InChIKeyYXOIRDHBYYRVHO-UHFFFAOYSA-N
XLogP4.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-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 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine?
The IUPAC name of 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine (CID 90417593) is 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine?
The canonical SMILES for 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine is Fc1ccc(COc2cnc3cc(Br)cnc3c2)cc1F.
What is the InChIKey of 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine?
The InChIKey is YXOIRDHBYYRVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O/c16-10-4-14-15(19-6-10)5-11(7-20-14)21-8-9-1-2-12(17)13(18)3-9/h1-7H,8H2.
What are the key properties of 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine?
3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine has a molecular weight of 351.15 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridine is sourced from PubChem (CID 90417593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).