3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid

C14H10F6N2O2 — CID 58442365

IUPAC3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1ccc(C)n1-c1cc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C14H10F6N2O2/c1-6-3-4-7(2)22(6)9-5-8(13(15,16)17)11(14(18,19)20)21-10(9)12(23)24/h3-5H,1-2H3,(H,23,24)
InChIKeyMQTQLUPJYLMTOY-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.22
Rot. Bonds2

About 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid

3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 58442365) has the molecular formula C14H10F6N2O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID58442365
Molecular FormulaC14H10F6N2O2
Molecular Weight352.23 g/mol
Exact Mass352.06
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1ccc(C)n1-c1cc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C14H10F6N2O2/c1-6-3-4-7(2)22(6)9-5-8(13(15,16)17)11(14(18,19)20)21-10(9)12(23)24/h3-5H,1-2H3,(H,23,24)
InChIKeyMQTQLUPJYLMTOY-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-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 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid (CID 58442365) is 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid is Cc1ccc(C)n1-c1cc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)O.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is MQTQLUPJYLMTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O2/c1-6-3-4-7(2)22(6)9-5-8(13(15,16)17)11(14(18,19)20)21-10(9)12(23)24/h3-5H,1-2H3,(H,23,24).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid?
3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 352.23 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-5,6-bis(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 58442365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).