4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine

C9H4BrF3N2S — CID 116903682

IUPAC4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C9H4BrF3N2S/c10-7-2-1-6(16-7)5-3-4-14-8(15-5)9(11,12)13/h1-4H
InChIKeyPIELGNLHLDYNCC-UHFFFAOYSA-N
MW309.11 g/mol
LogP3.99
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine

4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 116903682) has the molecular formula C9H4BrF3N2S and a molecular weight of 309.11 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID116903682
Molecular FormulaC9H4BrF3N2S
Molecular Weight309.11 g/mol
Exact Mass307.92
IUPAC Name4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C9H4BrF3N2S/c10-7-2-1-6(16-7)5-3-4-14-8(15-5)9(11,12)13/h1-4H
InChIKeyPIELGNLHLDYNCC-UHFFFAOYSA-N
XLogP3.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
CID 116903681
4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
CID 116903672
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
4-bromo-2-(trifluoromethyl)pyrimidine
CID 53302344
4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490188
4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903673
1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116897913
4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
CID 167422581
3-amino-3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propanoic acid
CID 116902332
3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116898266
[1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902544

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine (CID 116903682) is 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(-c2ccc(Br)s2)n1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is PIELGNLHLDYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2S/c10-7-2-1-6(16-7)5-3-4-14-8(15-5)9(11,12)13/h1-4H.
What are the key properties of 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine?
4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 309.11 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116903682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).