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

C11H12N2O2 — CID 55219086

IUPAC3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COC1CCOC1
InChIInChI=1S/C11H12N2O2/c12-6-11-9(2-1-4-13-11)7-15-10-3-5-14-8-10/h1-2,4,10H,3,5,7-8H2
InChIKeyYWQCVXOSFAKZOT-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.26
Rot. Bonds3

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

3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile (PubChem CID 55219086) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
PubChem CID55219086
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COC1CCOC1
InChIInChI=1S/C11H12N2O2/c12-6-11-9(2-1-4-13-11)7-15-10-3-5-14-8-10/h1-2,4,10H,3,5,7-8H2
InChIKeyYWQCVXOSFAKZOT-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-4-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 62994832
3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
CID 62920439
3-methyl-4-(oxolan-3-yloxymethyl)benzonitrile
CID 114481616
6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 66718550
3-fluoro-4-(oxolan-3-yloxymethyl)benzonitrile
CID 63556454
4-fluoro-2-(oxolan-3-yloxymethyl)benzonitrile
CID 107903450
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
CID 116519481
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
4-[2-(oxolan-3-yloxy)ethoxy]benzonitrile
CID 63557241
3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile
CID 107683551

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile (CID 55219086) is 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile is N#Cc1ncccc1COC1CCOC1.
What is the InChIKey of 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile?
The InChIKey is YWQCVXOSFAKZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-6-11-9(2-1-4-13-11)7-15-10-3-5-14-8-10/h1-2,4,10H,3,5,7-8H2.
What are the key properties of 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile?
3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 55219086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).