4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine

C11H8BrFN2 — CID 82487191

IUPAC4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc(F)c(Br)c2)ncn1
InChIInChI=1S/C11H8BrFN2/c1-7-4-11(15-6-14-7)8-2-3-10(13)9(12)5-8/h2-6H,1H3
InChIKeyFFDLORIKEYUYLU-UHFFFAOYSA-N
MW267.10 g/mol
LogP3.35
Rot. Bonds1

About 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine

4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine (PubChem CID 82487191) has the molecular formula C11H8BrFN2 and a molecular weight of 267.10 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine
PubChem CID82487191
Molecular FormulaC11H8BrFN2
Molecular Weight267.10 g/mol
Exact Mass265.99
IUPAC Name4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc(F)c(Br)c2)ncn1
InChIInChI=1S/C11H8BrFN2/c1-7-4-11(15-6-14-7)8-2-3-10(13)9(12)5-8/h2-6H,1H3
InChIKeyFFDLORIKEYUYLU-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-fluoro-4-(4-methylphenyl)benzene
CID 115049308
4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
CID 82481921
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398
6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646691
2-(3-bromo-4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 113303187
6-(3-bromo-4-fluorophenyl)-N-methylpyridazin-3-amine
CID 62914654
6-(4-fluoro-3-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857699
4-(3,4-difluorophenyl)-6-ethylpyrimidine
CID 57247663
4-[2-(3-bromo-4-fluorophenyl)ethynyl]-2-methylpyridine
CID 59763879
2-bromo-1-fluoro-4-phenylbenzene
CID 2773367

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine (CID 82487191) is 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine is Cc1cc(-c2ccc(F)c(Br)c2)ncn1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine?
The InChIKey is FFDLORIKEYUYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2/c1-7-4-11(15-6-14-7)8-2-3-10(13)9(12)5-8/h2-6H,1H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine?
4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine has a molecular weight of 267.10 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine is sourced from PubChem (CID 82487191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).