1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone

C13H10BrFN2O2 — CID 114560010

IUPAC1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(CC(=O)c2c(F)cccc2Br)ncn1
InChIInChI=1S/C13H10BrFN2O2/c1-19-12-6-8(16-7-17-12)5-11(18)13-9(14)3-2-4-10(13)15/h2-4,6-7H,5H2,1H3
InChIKeyUOFSJAZRPBAZAZ-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.81
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone

1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone (PubChem CID 114560010) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
PubChem CID114560010
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(CC(=O)c2c(F)cccc2Br)ncn1
InChIInChI=1S/C13H10BrFN2O2/c1-19-12-6-8(16-7-17-12)5-11(18)13-9(14)3-2-4-10(13)15/h2-4,6-7H,5H2,1H3
InChIKeyUOFSJAZRPBAZAZ-UHFFFAOYSA-N
XLogP2.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-fluoro-N-(6-methoxypyrimidin-4-yl)benzamide
CID 75432111
1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
CID 12949055
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
4-[2-(3-bromo-2-fluorophenyl)-2-chloroethyl]-6-methoxypyrimidine
CID 114020756
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
CID 113397442
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114885464

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone (CID 114560010) is 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone is COc1cc(CC(=O)c2c(F)cccc2Br)ncn1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone?
The InChIKey is UOFSJAZRPBAZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-19-12-6-8(16-7-17-12)5-11(18)13-9(14)3-2-4-10(13)15/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone?
1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone has a molecular weight of 325.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 114560010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).