2-(1,1-dimethoxyethyl)pyridine

C9H13NO2 — CID 12749734

IUPAC2-(1,1-dimethoxyethyl)pyridine
SMILESCOC(C)(OC)c1ccccn1
InChIInChI=1S/C9H13NO2/c1-9(11-2,12-3)8-6-4-5-7-10-8/h4-7H,1-3H3
InChIKeyIKNMJLGGVYFBFL-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.55
Rot. Bonds3

About 2-(1,1-dimethoxyethyl)pyridine

2-(1,1-dimethoxyethyl)pyridine (PubChem CID 12749734) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1,1-dimethoxyethyl)pyridine.

Molecular Properties

Compound Name2-(1,1-dimethoxyethyl)pyridine
PubChem CID12749734
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(1,1-dimethoxyethyl)pyridine
SMILESCOC(C)(OC)c1ccccn1
InChIInChI=1S/C9H13NO2/c1-9(11-2,12-3)8-6-4-5-7-10-8/h4-7H,1-3H3
InChIKeyIKNMJLGGVYFBFL-UHFFFAOYSA-N
XLogP1.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,1-dimethoxyethyl)pyridine?
The IUPAC name of 2-(1,1-dimethoxyethyl)pyridine (CID 12749734) is 2-(1,1-dimethoxyethyl)pyridine.
What is the SMILES notation for 2-(1,1-dimethoxyethyl)pyridine?
The canonical SMILES for 2-(1,1-dimethoxyethyl)pyridine is COC(C)(OC)c1ccccn1.
What is the InChIKey of 2-(1,1-dimethoxyethyl)pyridine?
The InChIKey is IKNMJLGGVYFBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(11-2,12-3)8-6-4-5-7-10-8/h4-7H,1-3H3.
What are the key properties of 2-(1,1-dimethoxyethyl)pyridine?
2-(1,1-dimethoxyethyl)pyridine has a molecular weight of 167.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethoxyethyl)pyridine is sourced from PubChem (CID 12749734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).