3-(methoxymethyl)pyridine-2-carbonitrile

C8H8N2O — CID 62919584

IUPAC3-(methoxymethyl)pyridine-2-carbonitrile
SMILESCOCc1cccnc1C#N
InChIInChI=1S/C8H8N2O/c1-11-6-7-3-2-4-10-8(7)5-9/h2-4H,6H2,1H3
InChIKeyHAXFMSSGTSVBSO-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.10
Rot. Bonds2

About 3-(methoxymethyl)pyridine-2-carbonitrile

3-(methoxymethyl)pyridine-2-carbonitrile (PubChem CID 62919584) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-(methoxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(methoxymethyl)pyridine-2-carbonitrile
PubChem CID62919584
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-(methoxymethyl)pyridine-2-carbonitrile
SMILESCOCc1cccnc1C#N
InChIInChI=1S/C8H8N2O/c1-11-6-7-3-2-4-10-8(7)5-9/h2-4H,6H2,1H3
InChIKeyHAXFMSSGTSVBSO-UHFFFAOYSA-N
XLogP1.10
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(methoxymethyl)pyridine-2-carbonitrile (CID 62919584) is 3-(methoxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(methoxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(methoxymethyl)pyridine-2-carbonitrile is COCc1cccnc1C#N.
What is the InChIKey of 3-(methoxymethyl)pyridine-2-carbonitrile?
The InChIKey is HAXFMSSGTSVBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-11-6-7-3-2-4-10-8(7)5-9/h2-4H,6H2,1H3.
What are the key properties of 3-(methoxymethyl)pyridine-2-carbonitrile?
3-(methoxymethyl)pyridine-2-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 62919584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).