2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C11H12F3N3O3 — CID 106669358

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1N1CC(O)C(O)C1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)8-2-1-5(9(15)20)10(16-8)17-3-6(18)7(19)4-17/h1-2,6-7,18-19H,3-4H2,(H2,15,20)
InChIKeyKUCYWXPZOCPJNR-UHFFFAOYSA-N
MW291.23 g/mol
LogP-0.26
Rot. Bonds2

About 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 106669358) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID106669358
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1N1CC(O)C(O)C1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)8-2-1-5(9(15)20)10(16-8)17-3-6(18)7(19)4-17/h1-2,6-7,18-19H,3-4H2,(H2,15,20)
InChIKeyKUCYWXPZOCPJNR-UHFFFAOYSA-N
XLogP-0.26
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 106669358) is 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1N1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KUCYWXPZOCPJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)8-2-1-5(9(15)20)10(16-8)17-3-6(18)7(19)4-17/h1-2,6-7,18-19H,3-4H2,(H2,15,20).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 291.23 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106669358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).