4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine

C11H6BrF3N2 — CID 116903672

IUPAC4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H6BrF3N2/c12-8-3-1-7(2-4-8)9-5-6-16-10(17-9)11(13,14)15/h1-6H
InChIKeyNBUXIHYBJKOSFP-UHFFFAOYSA-N
MW303.08 g/mol
LogP3.92
Rot. Bonds1

About 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine

4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 116903672) has the molecular formula C11H6BrF3N2 and a molecular weight of 303.08 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
PubChem CID116903672
Molecular FormulaC11H6BrF3N2
Molecular Weight303.08 g/mol
Exact Mass301.97
IUPAC Name4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H6BrF3N2/c12-8-3-1-7(2-4-8)9-5-6-16-10(17-9)11(13,14)15/h1-6H
InChIKeyNBUXIHYBJKOSFP-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
CID 116897638
4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903673
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidine
CID 68627815
4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
CID 116903682
4-bromo-2-(trifluoromethyl)pyrimidine
CID 53302344
4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
CID 167422581
2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 174796862
2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol
CID 116899542
4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
CID 116903681
3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine
CID 116898418

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine (CID 116903672) is 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is NBUXIHYBJKOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2/c12-8-3-1-7(2-4-8)9-5-6-16-10(17-9)11(13,14)15/h1-6H.
What are the key properties of 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine?
4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 303.08 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116903672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).