2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H11F3N2O2 — CID 79869488

IUPAC2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCC1CCCO1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)10-4-3-8(6-16)11(17-10)19-7-9-2-1-5-18-9/h3-4,9H,1-2,5,7H2
InChIKeyBIKZYNOSSCTNQO-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.53
Rot. Bonds3

About 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79869488) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79869488
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCC1CCCO1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)10-4-3-8(6-16)11(17-10)19-7-9-2-1-5-18-9/h3-4,9H,1-2,5,7H2
InChIKeyBIKZYNOSSCTNQO-UHFFFAOYSA-N
XLogP2.53
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869424
2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873515
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)benzonitrile
CID 43331128
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile
CID 82955844
2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877373
2-(furan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869558
2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873398
2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 82807332
2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103177581
2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873370

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79869488) is 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BIKZYNOSSCTNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)10-4-3-8(6-16)11(17-10)19-7-9-2-1-5-18-9/h3-4,9H,1-2,5,7H2.
What are the key properties of 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 272.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79869488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).