N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide

C11H13F3N4O2 — CID 79876784

IUPACN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1N1CCC(O)C1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-2-1-7(9(15)17-20)10(16-8)18-4-3-6(19)5-18/h1-2,6,19-20H,3-5H2,(H2,15,17)
InChIKeyOWBWUGGMMOMJQH-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.77
Rot. Bonds2

About N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide

N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79876784) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79876784
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC NameN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1N1CCC(O)C1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-2-1-7(9(15)17-20)10(16-8)18-4-3-6(19)5-18/h1-2,6,19-20H,3-5H2,(H2,15,17)
InChIKeyOWBWUGGMMOMJQH-UHFFFAOYSA-N
XLogP0.77
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 115965284
5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 77004386
2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877458
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876921
2-[3-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875720
2-(4-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876517
2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877590
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79874128
2-(azocan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876505
2-(azepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877717

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79876784) is N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is NC(=NO)c1ccc(C(F)(F)F)nc1N1CCC(O)C1.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is OWBWUGGMMOMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)8-2-1-7(9(15)17-20)10(16-8)18-4-3-6(19)5-18/h1-2,6,19-20H,3-5H2,(H2,15,17).
What are the key properties of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 290.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79876784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).