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

C11H12N2O2 — CID 66718550

IUPAC6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(COC2CCOC2)n1
InChIInChI=1S/C11H12N2O2/c12-6-9-2-1-3-10(13-9)7-15-11-4-5-14-8-11/h1-3,11H,4-5,7-8H2
InChIKeyVRTAMKWPTWMVBS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.26
Rot. Bonds3

About 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile

6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile (PubChem CID 66718550) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
PubChem CID66718550
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(COC2CCOC2)n1
InChIInChI=1S/C11H12N2O2/c12-6-9-2-1-3-10(13-9)7-15-11-4-5-14-8-11/h1-3,11H,4-5,7-8H2
InChIKeyVRTAMKWPTWMVBS-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

2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
CID 154377158
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
N-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]acetamide
CID 154658060
2-chloro-6-(oxan-4-yloxymethyl)pyridine
CID 79243769
3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 55219086
[6-(2-methylbutoxymethyl)-2-pyridinyl]methanamine;[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanamine
CID 145133902
[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine
CID 142707797
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
CID 140925195
6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
CID 106903338
4-[2-(oxolan-3-yloxy)ethoxy]benzonitrile
CID 63557241
6-(oxolan-3-ylamino)pyridine-2-carbonitrile
CID 80713825
3-methyl-4-(oxolan-3-yloxymethyl)benzonitrile
CID 114481616

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile (CID 66718550) is 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile is N#Cc1cccc(COC2CCOC2)n1.
What is the InChIKey of 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile?
The InChIKey is VRTAMKWPTWMVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-6-9-2-1-3-10(13-9)7-15-11-4-5-14-8-11/h1-3,11H,4-5,7-8H2.
What are the key properties of 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile?
6-(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 6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 66718550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).