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

C12H13F3N2O2 — CID 63721228

IUPAC4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(c2ccc(C(F)(F)F)cn2)CC1C(=O)O
InChIInChI=1S/C12H13F3N2O2/c1-7-5-17(6-9(7)11(18)19)10-3-2-8(4-16-10)12(13,14)15/h2-4,7,9H,5-6H2,1H3,(H,18,19)
InChIKeyJCSXZOLSIAVGCX-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.26
Rot. Bonds2

About 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (PubChem CID 63721228) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
PubChem CID63721228
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(c2ccc(C(F)(F)F)cn2)CC1C(=O)O
InChIInChI=1S/C12H13F3N2O2/c1-7-5-17(6-9(7)11(18)19)10-3-2-8(4-16-10)12(13,14)15/h2-4,7,9H,5-6H2,1H3,(H,18,19)
InChIKeyJCSXZOLSIAVGCX-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (CID 63721228) is 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is CC1CN(c2ccc(C(F)(F)F)cn2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JCSXZOLSIAVGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-7-5-17(6-9(7)11(18)19)10-3-2-8(4-16-10)12(13,14)15/h2-4,7,9H,5-6H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).