3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile

C12H14N2O2 — CID 62920439

IUPAC3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COCC1CCCO1
InChIInChI=1S/C12H14N2O2/c13-7-12-10(3-1-5-14-12)8-15-9-11-4-2-6-16-11/h1,3,5,11H,2,4,6,8-9H2
InChIKeyPCSJSGQXKBVCRG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.65
Rot. Bonds4

About 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile

3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile (PubChem CID 62920439) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
PubChem CID62920439
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COCC1CCCO1
InChIInChI=1S/C12H14N2O2/c13-7-12-10(3-1-5-14-12)8-15-9-11-4-2-6-16-11/h1,3,5,11H,2,4,6,8-9H2
InChIKeyPCSJSGQXKBVCRG-UHFFFAOYSA-N
XLogP1.65
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 62895887
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587633
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]thiourea
CID 168534500
N-[[2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291426
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333
3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
CID 97215805
[3-(oxolan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444972
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile (CID 62920439) is 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile is N#Cc1ncccc1COCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile?
The InChIKey is PCSJSGQXKBVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-7-12-10(3-1-5-14-12)8-15-9-11-4-2-6-16-11/h1,3,5,11H,2,4,6,8-9H2.
What are the key properties of 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile?
3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 62920439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).