2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile

C10H12N2O2 — CID 13411117

IUPAC2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile
SMILESCOC(Cc1ncccc1C#N)OC
InChIInChI=1S/C10H12N2O2/c1-13-10(14-2)6-9-8(7-11)4-3-5-12-9/h3-5,10H,6H2,1-2H3
InChIKeyKUCFHYFYTPPUTO-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.11
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile

2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile (PubChem CID 13411117) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile
PubChem CID13411117
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile
SMILESCOC(Cc1ncccc1C#N)OC
InChIInChI=1S/C10H12N2O2/c1-13-10(14-2)6-9-8(7-11)4-3-5-12-9/h3-5,10H,6H2,1-2H3
InChIKeyKUCFHYFYTPPUTO-UHFFFAOYSA-N
XLogP1.11
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile (CID 13411117) is 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile is COC(Cc1ncccc1C#N)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile?
The InChIKey is KUCFHYFYTPPUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-13-10(14-2)6-9-8(7-11)4-3-5-12-9/h3-5,10H,6H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile?
2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 13411117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).