(3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol

C11H13F3N2O — CID 145453097

IUPAC(3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESCN1C[C@H](O)[C@H](C(F)(F)F)[C@@H]1c1cccnc1
InChIInChI=1S/C11H13F3N2O/c1-16-6-8(17)9(11(12,13)14)10(16)7-3-2-4-15-5-7/h2-5,8-10,17H,6H2,1H3/t8-,9-,10-/m0/s1
InChIKeyCJDVSWMZSCPKSZ-GUBZILKMSA-N
MW246.23 g/mol
LogP1.61
Rot. Bonds1

About (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol

(3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 145453097) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID145453097
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name(3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESCN1C[C@H](O)[C@H](C(F)(F)F)[C@@H]1c1cccnc1
InChIInChI=1S/C11H13F3N2O/c1-16-6-8(17)9(11(12,13)14)10(16)7-3-2-4-15-5-7/h2-5,8-10,17H,6H2,1H3/t8-,9-,10-/m0/s1
InChIKeyCJDVSWMZSCPKSZ-GUBZILKMSA-N
XLogP1.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol with MolForge

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Related Compounds

3-Pyridinepropanol
CID 17861
3'-Hydroxycotinine, trans-
CID 107963
3-Hydroxycotinine
CID 10219774
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-
CID 414
(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960091
[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960092
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1-yl-ethanol
CID 11231451
3-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]pyridine
CID 44345019
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl] acetate
CID 44345077
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl] methanesulfonate
CID 44345221

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol (CID 145453097) is (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol is CN1C[C@H](O)[C@H](C(F)(F)F)[C@@H]1c1cccnc1.
What is the InChIKey of (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is CJDVSWMZSCPKSZ-GUBZILKMSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-16-6-8(17)9(11(12,13)14)10(16)7-3-2-4-15-5-7/h2-5,8-10,17H,6H2,1H3/t8-,9-,10-/m0/s1.
What are the key properties of (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol?
(3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 246.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-1-methyl-5-pyridin-3-yl-4-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 145453097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).