2-(1,3-dioxolan-2-yl)-6-methylpyridine

C9H11NO2 — CID 2734304

IUPAC2-(1,3-dioxolan-2-yl)-6-methylpyridine
SMILESCc1cccc(C2OCCO2)n1
InChIInChI=1S/C9H11NO2/c1-7-3-2-4-8(10-7)9-11-5-6-12-9/h2-4,9H,5-6H2,1H3
InChIKeyBRLNLMMLCNZBNP-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.44
Rot. Bonds1

About 2-(1,3-dioxolan-2-yl)-6-methylpyridine

2-(1,3-dioxolan-2-yl)-6-methylpyridine (PubChem CID 2734304) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-6-methylpyridine
PubChem CID2734304
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(1,3-dioxolan-2-yl)-6-methylpyridine
SMILESCc1cccc(C2OCCO2)n1
InChIInChI=1S/C9H11NO2/c1-7-3-2-4-8(10-7)9-11-5-6-12-9/h2-4,9H,5-6H2,1H3
InChIKeyBRLNLMMLCNZBNP-UHFFFAOYSA-N
XLogP1.44
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-6-methylpyridine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-6-methylpyridine (CID 2734304) is 2-(1,3-dioxolan-2-yl)-6-methylpyridine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-6-methylpyridine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-6-methylpyridine is Cc1cccc(C2OCCO2)n1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-6-methylpyridine?
The InChIKey is BRLNLMMLCNZBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-3-2-4-8(10-7)9-11-5-6-12-9/h2-4,9H,5-6H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-6-methylpyridine?
2-(1,3-dioxolan-2-yl)-6-methylpyridine has a molecular weight of 165.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-6-methylpyridine is sourced from PubChem (CID 2734304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).