4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine

C9H3BrClF3N2S — CID 114563128

IUPAC4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2sccc2Br)nc(Cl)n1
InChIInChI=1S/C9H3BrClF3N2S/c10-4-1-2-17-7(4)5-3-6(9(12,13)14)16-8(11)15-5/h1-3H
InChIKeyRLNKKIDTDPGGBN-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.64
Rot. Bonds1

About 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine

4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine (PubChem CID 114563128) has the molecular formula C9H3BrClF3N2S and a molecular weight of 343.56 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
PubChem CID114563128
Molecular FormulaC9H3BrClF3N2S
Molecular Weight343.56 g/mol
Exact Mass341.88
IUPAC Name4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2sccc2Br)nc(Cl)n1
InChIInChI=1S/C9H3BrClF3N2S/c10-4-1-2-17-7(4)5-3-6(9(12,13)14)16-8(11)15-5/h1-3H
InChIKeyRLNKKIDTDPGGBN-UHFFFAOYSA-N
XLogP4.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine (CID 114563128) is 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2sccc2Br)nc(Cl)n1.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is RLNKKIDTDPGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF3N2S/c10-4-1-2-17-7(4)5-3-6(9(12,13)14)16-8(11)15-5/h1-3H.
What are the key properties of 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine?
4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 343.56 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114563128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).