(3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol

C11H14F3N3O — CID 71073289

IUPAC(3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol
SMILESC[C@H]1CN(c2nc(C(F)(F)F)ccc2N)C[C@H]1O
InChIInChI=1S/C11H14F3N3O/c1-6-4-17(5-8(6)18)10-7(15)2-3-9(16-10)11(12,13)14/h2-3,6,8,18H,4-5,15H2,1H3/t6-,8+/m0/s1
InChIKeyUIEKMCBHYWNNCM-POYBYMJQSA-N
MW261.25 g/mol
LogP1.50
Rot. Bonds1

About (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol

(3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol (PubChem CID 71073289) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol
PubChem CID71073289
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name(3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol
SMILESC[C@H]1CN(c2nc(C(F)(F)F)ccc2N)C[C@H]1O
InChIInChI=1S/C11H14F3N3O/c1-6-4-17(5-8(6)18)10-7(15)2-3-9(16-10)11(12,13)14/h2-3,6,8,18H,4-5,15H2,1H3/t6-,8+/m0/s1
InChIKeyUIEKMCBHYWNNCM-POYBYMJQSA-N
XLogP1.50
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol (CID 71073289) is (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol is C[C@H]1CN(c2nc(C(F)(F)F)ccc2N)C[C@H]1O.
What is the InChIKey of (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol?
The InChIKey is UIEKMCBHYWNNCM-POYBYMJQSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6-4-17(5-8(6)18)10-7(15)2-3-9(16-10)11(12,13)14/h2-3,6,8,18H,4-5,15H2,1H3/t6-,8+/m0/s1.
What are the key properties of (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol?
(3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol has a molecular weight of 261.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 71073289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).