2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine

C9H3Cl2F3N2S — CID 86624627

IUPAC2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)s2)nc(Cl)n1
InChIInChI=1S/C9H3Cl2F3N2S/c10-7-2-1-5(17-7)4-3-6(9(12,13)14)16-8(11)15-4/h1-3H
InChIKeyVKRYASWOSHOZNN-UHFFFAOYSA-N
MW299.10 g/mol
LogP4.53
Rot. Bonds1

About 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 86624627) has the molecular formula C9H3Cl2F3N2S and a molecular weight of 299.10 g/mol. Its IUPAC name is 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID86624627
Molecular FormulaC9H3Cl2F3N2S
Molecular Weight299.10 g/mol
Exact Mass297.93
IUPAC Name2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)s2)nc(Cl)n1
InChIInChI=1S/C9H3Cl2F3N2S/c10-7-2-1-5(17-7)4-3-6(9(12,13)14)16-8(11)15-4/h1-3H
InChIKeyVKRYASWOSHOZNN-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine (CID 86624627) is 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)s2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is VKRYASWOSHOZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F3N2S/c10-7-2-1-5(17-7)4-3-6(9(12,13)14)16-8(11)15-4/h1-3H.
What are the key properties of 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 299.10 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 86624627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).