2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol

C14H17F3N4O4 — CID 171557352

IUPAC2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol
SMILESCOc1cccc(C(F)(F)F)n1.OC1CCN(c2ncon2)CC1O
InChIInChI=1S/C7H6F3NO.C7H11N3O3/c1-12-6-4-2-3-5(11-6)7(8,9)10;11-5-1-2-10(3-6(5)12)7-8-4-13-9-7/h2-4H,1H3;4-6,11-12H,1-3H2
InChIKeyBNWCIWLMRPDGLO-UHFFFAOYSA-N
MW362.31 g/mol
LogP1.11
Rot. Bonds2

About 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol

2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol (PubChem CID 171557352) has the molecular formula C14H17F3N4O4 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol.

Molecular Properties

Compound Name2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol
PubChem CID171557352
Molecular FormulaC14H17F3N4O4
Molecular Weight362.31 g/mol
Exact Mass362.12
IUPAC Name2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol
SMILESCOc1cccc(C(F)(F)F)n1.OC1CCN(c2ncon2)CC1O
InChIInChI=1S/C7H6F3NO.C7H11N3O3/c1-12-6-4-2-3-5(11-6)7(8,9)10;11-5-1-2-10(3-6(5)12)7-8-4-13-9-7/h2-4H,1H3;4-6,11-12H,1-3H2
InChIKeyBNWCIWLMRPDGLO-UHFFFAOYSA-N
XLogP1.11
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3aS,7S,7aR)-2,2-dimethyl-5-(1,2,4-oxadiazol-3-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 171557010
(3S,4S,5S)-1-(1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171557445
ethyl 3-[(3S,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-1,2,4-oxadiazole-5-carboxylate
CID 171558414
(3S,4S,5S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 177777713
Ethyl 3-(3,4-dihydroxypiperidin-1-yl)-1,2,4-oxadiazole-5-carboxylate;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007514
1-(1,2,4-Oxadiazol-3-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007954
1-[(6-Methoxy-2-pyridyl)methyl]-3-piperidyl [2-(5-methyl-1,2,4-oxadiazol-3-YL)ethyl] ether
CID 137910693

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol?
The IUPAC name of 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol (CID 171557352) is 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol.
What is the SMILES notation for 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol?
The canonical SMILES for 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol is COc1cccc(C(F)(F)F)n1.OC1CCN(c2ncon2)CC1O.
What is the InChIKey of 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol?
The InChIKey is BNWCIWLMRPDGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C7H11N3O3/c1-12-6-4-2-3-5(11-6)7(8,9)10;11-5-1-2-10(3-6(5)12)7-8-4-13-9-7/h2-4H,1H3;4-6,11-12H,1-3H2.
What are the key properties of 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol?
2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol has a molecular weight of 362.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(trifluoromethyl)pyridine;1-(1,2,4-oxadiazol-3-yl)piperidine-3,4-diol is sourced from PubChem (CID 171557352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).