3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine

C15H10BrFN2O — CID 107660142

IUPAC3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine
SMILESCc1cccc(Oc2ccnc3cc(Br)cnc23)c1F
InChIInChI=1S/C15H10BrFN2O/c1-9-3-2-4-12(14(9)17)20-13-5-6-18-11-7-10(16)8-19-15(11)13/h2-8H,1H3
InChIKeyFVSCRDNRRDHDRS-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.63
Rot. Bonds2

About 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine

3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine (PubChem CID 107660142) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine
PubChem CID107660142
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine
SMILESCc1cccc(Oc2ccnc3cc(Br)cnc23)c1F
InChIInChI=1S/C15H10BrFN2O/c1-9-3-2-4-12(14(9)17)20-13-5-6-18-11-7-10(16)8-19-15(11)13/h2-8H,1H3
InChIKeyFVSCRDNRRDHDRS-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine (CID 107660142) is 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine is Cc1cccc(Oc2ccnc3cc(Br)cnc23)c1F.
What is the InChIKey of 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine?
The InChIKey is FVSCRDNRRDHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c1-9-3-2-4-12(14(9)17)20-13-5-6-18-11-7-10(16)8-19-15(11)13/h2-8H,1H3.
What are the key properties of 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine?
3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine has a molecular weight of 333.16 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(2-fluoro-3-methylphenoxy)-1,5-naphthyridine is sourced from PubChem (CID 107660142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).