2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

C12H13F3N2O2 — CID 79372086

IUPAC2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H13F3N2O2/c1-7-9(11(18)19)3-5-17(7)10-6-8(2-4-16-10)12(13,14)15/h2,4,6-7,9H,3,5H2,1H3,(H,18,19)
InChIKeyXPRJTWMULRHIRB-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.40
Rot. Bonds2

About 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (PubChem CID 79372086) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
PubChem CID79372086
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H13F3N2O2/c1-7-9(11(18)19)3-5-17(7)10-6-8(2-4-16-10)12(13,14)15/h2,4,6-7,9H,3,5H2,1H3,(H,18,19)
InChIKeyXPRJTWMULRHIRB-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (CID 79372086) is 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XPRJTWMULRHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-7-9(11(18)19)3-5-17(7)10-6-8(2-4-16-10)12(13,14)15/h2,4,6-7,9H,3,5H2,1H3,(H,18,19).
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79372086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).