2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine

C11H13F3N2 — CID 59059706

IUPAC2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESC[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H13F3N2/c1-8-4-5-16(7-8)10-3-2-9(6-15-10)11(12,13)14/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyAPJLFIAGIRMNHW-MRVPVSSYSA-N
MW230.23 g/mol
LogP2.95
Rot. Bonds1

About 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine

2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 59059706) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID59059706
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESC[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H13F3N2/c1-8-4-5-16(7-8)10-3-2-9(6-15-10)11(12,13)14/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyAPJLFIAGIRMNHW-MRVPVSSYSA-N
XLogP2.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 77463574
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 17447797

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine (CID 59059706) is 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine is C[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is APJLFIAGIRMNHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-8-4-5-16(7-8)10-3-2-9(6-15-10)11(12,13)14/h2-3,6,8H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 230.23 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 59059706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).