1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid

C12H9F3N2O2 — CID 69084029

IUPAC1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)cnc1-n1cccc1C(=O)O
InChIInChI=1S/C12H9F3N2O2/c1-7-5-8(12(13,14)15)6-16-10(7)17-4-2-3-9(17)11(18)19/h2-6H,1H3,(H,18,19)
InChIKeyWOGVVLOCIDRIJA-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.90
Rot. Bonds2

About 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid

1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid (PubChem CID 69084029) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
PubChem CID69084029
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)cnc1-n1cccc1C(=O)O
InChIInChI=1S/C12H9F3N2O2/c1-7-5-8(12(13,14)15)6-16-10(7)17-4-2-3-9(17)11(18)19/h2-6H,1H3,(H,18,19)
InChIKeyWOGVVLOCIDRIJA-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid (CID 69084029) is 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid is Cc1cc(C(F)(F)F)cnc1-n1cccc1C(=O)O.
What is the InChIKey of 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
The InChIKey is WOGVVLOCIDRIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-5-8(12(13,14)15)6-16-10(7)17-4-2-3-9(17)11(18)19/h2-6H,1H3,(H,18,19).
What are the key properties of 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid?
1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid has a molecular weight of 270.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 69084029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).