3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

C12H15F3N2O — CID 122134758

IUPAC3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCCC1(O)CCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N2O/c1-2-11(18)6-7-17(8-11)10-5-3-4-9(16-10)12(13,14)15/h3-5,18H,2,6-8H2,1H3
InChIKeyYKUGBPZKEGOIJQ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.45
Rot. Bonds2

About 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 122134758) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID122134758
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCCC1(O)CCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N2O/c1-2-11(18)6-7-17(8-11)10-5-3-4-9(16-10)12(13,14)15/h3-5,18H,2,6-8H2,1H3
InChIKeyYKUGBPZKEGOIJQ-UHFFFAOYSA-N
XLogP2.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 72871909
(4aS,8aS)-1-methyl-7-[6-(trifluoromethyl)-2-pyridinyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135089759
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112627873
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
N'-hydroxy-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanimidamide
CID 77011764
2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 106838452
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 163318816
N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 133321234
3-ethylsulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]azepane
CID 133311270
3-piperidin-1-yl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 166601439
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 122134758) is 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is CCC1(O)CCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is YKUGBPZKEGOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-11(18)6-7-17(8-11)10-5-3-4-9(16-10)12(13,14)15/h3-5,18H,2,6-8H2,1H3.
What are the key properties of 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 260.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 122134758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).