2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone

C16H9BrF2N2O — CID 146662188

IUPAC2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H9BrF2N2O/c17-10-6-15-14(20-8-10)4-2-11(21-15)7-16(22)9-1-3-12(18)13(19)5-9/h1-6,8H,7H2
InChIKeyUNXWPIWYYZYREH-UHFFFAOYSA-N
MW363.16 g/mol
LogP4.10
Rot. Bonds3

About 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone

2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone (PubChem CID 146662188) has the molecular formula C16H9BrF2N2O and a molecular weight of 363.16 g/mol. Its IUPAC name is 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone
PubChem CID146662188
Molecular FormulaC16H9BrF2N2O
Molecular Weight363.16 g/mol
Exact Mass361.99
IUPAC Name2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H9BrF2N2O/c17-10-6-15-14(20-8-10)4-2-11(21-15)7-16(22)9-1-3-12(18)13(19)5-9/h1-6,8H,7H2
InChIKeyUNXWPIWYYZYREH-UHFFFAOYSA-N
XLogP4.10
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924
7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2,4-difluorophenyl)ethanone;methyl 5-chloro-2,4-difluorobenzoate
CID 157468993
1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285
1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 116832929
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 146661981
2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
CID 104799249
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(3-amino-4-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116552353
2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-pyridinyl)ethanone
CID 104799261
1-(3-bromoquinolin-6-yl)-2-(5-chloro-2,4-difluorophenyl)ethane-1,2-dione
CID 146662051

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone?
The IUPAC name of 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone (CID 146662188) is 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone is O=C(Cc1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone?
The InChIKey is UNXWPIWYYZYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2O/c17-10-6-15-14(20-8-10)4-2-11(21-15)7-16(22)9-1-3-12(18)13(19)5-9/h1-6,8H,7H2.
What are the key properties of 2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone?
2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone has a molecular weight of 363.16 g/mol, XLogP of 4.10, 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-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 146662188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).