1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol

C10H12F3N3O2 — CID 106748167

IUPAC1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol
SMILESNc1cnc(C(F)(F)F)cc1N1CC(O)C(O)C1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9-1-6(5(14)2-15-9)16-3-7(17)8(18)4-16/h1-2,7-8,17-18H,3-4,14H2
InChIKeyUDJVHFGBNBWOHI-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.22
Rot. Bonds1

About 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol

1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 106748167) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol
PubChem CID106748167
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol
SMILESNc1cnc(C(F)(F)F)cc1N1CC(O)C(O)C1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9-1-6(5(14)2-15-9)16-3-7(17)8(18)4-16/h1-2,7-8,17-18H,3-4,14H2
InChIKeyUDJVHFGBNBWOHI-UHFFFAOYSA-N
XLogP0.22
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
4-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-amine
CID 106747091
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106747334
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
CID 106747103
4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747410
2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide
CID 106747519
4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747692
6-(trifluoromethyl)-4-(2,3,5-trimethylpiperidin-1-yl)pyridin-3-amine
CID 106748120
4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747710
4-(2-cyclopentylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747600
6-(trifluoromethyl)-4-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
CID 106747739
4-(2,2-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747342

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol (CID 106748167) is 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol is Nc1cnc(C(F)(F)F)cc1N1CC(O)C(O)C1.
What is the InChIKey of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol?
The InChIKey is UDJVHFGBNBWOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)9-1-6(5(14)2-15-9)16-3-7(17)8(18)4-16/h1-2,7-8,17-18H,3-4,14H2.
What are the key properties of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol?
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 263.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106748167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).