5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid

C7H6F3NO2 — CID 84664446

IUPAC5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C(F)(F)F)[nH]1
InChIInChI=1S/C7H6F3NO2/c1-3-2-4(6(12)13)5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
InChIKeyYVZXLMUFGVWMLJ-UHFFFAOYSA-N
MW193.12 g/mol
LogP2.04
Rot. Bonds1

About 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid

5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 84664446) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
PubChem CID84664446
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C(F)(F)F)[nH]1
InChIInChI=1S/C7H6F3NO2/c1-3-2-4(6(12)13)5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
InChIKeyYVZXLMUFGVWMLJ-UHFFFAOYSA-N
XLogP2.04
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
CID 83401835
N-(3-anilino-3-oxopropyl)-5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 141434927
1-(2-tert-butyl-5-methyl-1H-pyrrol-3-yl)ethanone
CID 58907267
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1H-pyrrole-3-carboxylic acid
CID 137273911
2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
CID 82490406
6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 83488076
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrrol-2-yl)propanoic acid
CID 55292773
2,5-dimethyl-3-(trifluoromethyl)benzoic acid;ethane
CID 177201270
2-methyl-3,5-bis(trifluoromethyl)benzoic acid
CID 53430558
5-methyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119020616
2-amino-3-methyl-5-(trifluoromethyl)benzoic acid
CID 122548214
1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one
CID 67574339

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid (CID 84664446) is 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C(F)(F)F)[nH]1.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is YVZXLMUFGVWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-3-2-4(6(12)13)5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13).
What are the key properties of 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid?
5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 193.12 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 84664446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).