1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid

C7H6F3NO2 — CID 11788779

IUPAC1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO2/c1-11-2-4(6(12)13)5(3-11)7(8,9)10/h2-3H,1H3,(H,12,13)
InChIKeySWIGLLMSRXLGCV-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.74
Rot. Bonds1

About 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid

1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid (PubChem CID 11788779) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid
PubChem CID11788779
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO2/c1-11-2-4(6(12)13)5(3-11)7(8,9)10/h2-3H,1H3,(H,12,13)
InChIKeySWIGLLMSRXLGCV-UHFFFAOYSA-N
XLogP1.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(trifluoromethyl)pyrrole-3-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 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid (CID 11788779) is 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid is Cn1cc(C(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid?
The InChIKey is SWIGLLMSRXLGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-11-2-4(6(12)13)5(3-11)7(8,9)10/h2-3H,1H3,(H,12,13).
What are the key properties of 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid?
1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid has a molecular weight of 193.12 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 11788779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).