PQH

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

Created:	2020-04-27
Last modified:	2020-05-06

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1 entries where PQH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	5

2D diagram of PQH

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Chemical Component Summary
Name	2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid
Formula	C₇ H₆ F₃ N O₂
Molecular Weight	193.123
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c(cc1C(O)=O)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc([nH]1)C(F)(F)F)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1[nH]c(cc1C(O)=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc([nH]1)C(F)(F)F)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
InChIKey	InChI	1.03	FZYQYTJVKWEWQJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11769371

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