(4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone

C11H6BrFN2O — CID 114965929

IUPAC(4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H6BrFN2O/c12-9-2-1-7(3-10(9)13)11(16)8-4-14-6-15-5-8/h1-6H
InChIKeyNWSSKVYXUOKGAZ-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.61
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone

(4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone (PubChem CID 114965929) has the molecular formula C11H6BrFN2O and a molecular weight of 281.08 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone
PubChem CID114965929
Molecular FormulaC11H6BrFN2O
Molecular Weight281.08 g/mol
Exact Mass279.96
IUPAC Name(4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H6BrFN2O/c12-9-2-1-7(3-10(9)13)11(16)8-4-14-6-15-5-8/h1-6H
InChIKeyNWSSKVYXUOKGAZ-UHFFFAOYSA-N
XLogP2.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-methylphenyl)-pyrimidin-5-ylmethanone
CID 114965823
(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114964489
(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 82809772
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
1-(4-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-one
CID 24724073
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223
1-(4-bromo-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796156
(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
CID 114270603
(3-fluoro-4-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373910
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
(4-bromo-3-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 63491672

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone (CID 114965929) is (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone is O=C(c1cncnc1)c1ccc(Br)c(F)c1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone?
The InChIKey is NWSSKVYXUOKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O/c12-9-2-1-7(3-10(9)13)11(16)8-4-14-6-15-5-8/h1-6H.
What are the key properties of (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone?
(4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone has a molecular weight of 281.08 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 114965929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).