4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid

C12H15F3N2O2 — CID 46891917

IUPAC4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccnc(N2CCCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N2.C2HF3O2/c1-9-4-5-11-10(8-9)12-6-2-3-7-12;3-2(4,5)1(6)7/h4-5,8H,2-3,6-7H2,1H3;(H,6,7)
InChIKeyAQICXYLYPRNAFL-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.62
Rot. Bonds1

About 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid

4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid (PubChem CID 46891917) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid
PubChem CID46891917
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccnc(N2CCCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N2.C2HF3O2/c1-9-4-5-11-10(8-9)12-6-2-3-7-12;3-2(4,5)1(6)7/h4-5,8H,2-3,6-7H2,1H3;(H,6,7)
InChIKeyAQICXYLYPRNAFL-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid (CID 46891917) is 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid is Cc1ccnc(N2CCCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid?
The InChIKey is AQICXYLYPRNAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2HF3O2/c1-9-4-5-11-10(8-9)12-6-2-3-7-12;3-2(4,5)1(6)7/h4-5,8H,2-3,6-7H2,1H3;(H,6,7).
What are the key properties of 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid?
4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid has a molecular weight of 276.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrolidin-1-ylpyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46891917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).