4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile

C11H12N2O2 — CID 62936750

IUPAC4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCC2CCCO2)ccn1
InChIInChI=1S/C11H12N2O2/c12-7-9-6-10(3-4-13-9)15-8-11-2-1-5-14-11/h3-4,6,11H,1-2,5,8H2
InChIKeyHIGVOCPOIAYNBI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.51
Rot. Bonds3

About 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile

4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile (PubChem CID 62936750) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
PubChem CID62936750
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCC2CCCO2)ccn1
InChIInChI=1S/C11H12N2O2/c12-7-9-6-10(3-4-13-9)15-8-11-2-1-5-14-11/h3-4,6,11H,1-2,5,8H2
InChIKeyHIGVOCPOIAYNBI-UHFFFAOYSA-N
XLogP1.51
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
2-[4-(oxan-2-ylmethoxy)phenyl]acetonitrile
CID 43422058
2-nitro-5-(oxan-2-ylmethoxy)benzonitrile
CID 115501400
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752
4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide
CID 55157630
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
CID 95127690
2-[(7-propan-2-ylnaphthalen-2-yl)oxymethyl]oxolane
CID 90144658
3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202481

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile (CID 62936750) is 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile is N#Cc1cc(OCC2CCCO2)ccn1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile?
The InChIKey is HIGVOCPOIAYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-7-9-6-10(3-4-13-9)15-8-11-2-1-5-14-11/h3-4,6,11H,1-2,5,8H2.
What are the key properties of 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile?
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 62936750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).