2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone

C16H10BrFN2O — CID 146661979

IUPAC2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc2ncc(Br)cc2n1)c1ccccc1F
InChIInChI=1S/C16H10BrFN2O/c17-10-7-15-14(19-9-10)6-5-11(20-15)8-16(21)12-3-1-2-4-13(12)18/h1-7,9H,8H2
InChIKeyQZBBUERIMICULX-UHFFFAOYSA-N
MW345.17 g/mol
LogP3.96
Rot. Bonds3

About 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone

2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone (PubChem CID 146661979) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone
PubChem CID146661979
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC Name2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc2ncc(Br)cc2n1)c1ccccc1F
InChIInChI=1S/C16H10BrFN2O/c17-10-7-15-14(19-9-10)6-5-11(20-15)8-16(21)12-3-1-2-4-13(12)18/h1-7,9H,8H2
InChIKeyQZBBUERIMICULX-UHFFFAOYSA-N
XLogP3.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone (CID 146661979) is 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone is O=C(Cc1ccc2ncc(Br)cc2n1)c1ccccc1F.
What is the InChIKey of 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone?
The InChIKey is QZBBUERIMICULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-10-7-15-14(19-9-10)6-5-11(20-15)8-16(21)12-3-1-2-4-13(12)18/h1-7,9H,8H2.
What are the key properties of 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone?
2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone has a molecular weight of 345.17 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 146661979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).