5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid

C10H4ClF3N2O2S — CID 135333388

IUPAC5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2cc(Cl)ncn2)cc1C(F)(F)F
InChIInChI=1S/C10H4ClF3N2O2S/c11-7-2-5(15-3-16-7)6-1-4(10(12,13)14)8(19-6)9(17)18/h1-3H,(H,17,18)
InChIKeyFXEUZXLWJFJKEO-UHFFFAOYSA-N
MW308.67 g/mol
LogP3.58
Rot. Bonds2

About 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid

5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid (PubChem CID 135333388) has the molecular formula C10H4ClF3N2O2S and a molecular weight of 308.67 g/mol. Its IUPAC name is 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid
PubChem CID135333388
Molecular FormulaC10H4ClF3N2O2S
Molecular Weight308.67 g/mol
Exact Mass307.96
IUPAC Name5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2cc(Cl)ncn2)cc1C(F)(F)F
InChIInChI=1S/C10H4ClF3N2O2S/c11-7-2-5(15-3-16-7)6-1-4(10(12,13)14)8(19-6)9(17)18/h1-3H,(H,17,18)
InChIKeyFXEUZXLWJFJKEO-UHFFFAOYSA-N
XLogP3.58
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid 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 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid (CID 135333388) is 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid is O=C(O)c1sc(-c2cc(Cl)ncn2)cc1C(F)(F)F.
What is the InChIKey of 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid?
The InChIKey is FXEUZXLWJFJKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N2O2S/c11-7-2-5(15-3-16-7)6-1-4(10(12,13)14)8(19-6)9(17)18/h1-3H,(H,17,18).
What are the key properties of 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid?
5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 308.67 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloropyrimidin-4-yl)-3-(trifluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 135333388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).