2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine

C14H13NO2 — CID 90367961

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
SMILESCc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H13NO2/c1-10-3-2-4-12(15-10)11-5-6-13-14(9-11)17-8-7-16-13/h2-6,9H,7-8H2,1H3
InChIKeyHZIKXVKKOCUUGP-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.83
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine (PubChem CID 90367961) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
PubChem CID90367961
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
SMILESCc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H13NO2/c1-10-3-2-4-12(15-10)11-5-6-13-14(9-11)17-8-7-16-13/h2-6,9H,7-8H2,1H3
InChIKeyHZIKXVKKOCUUGP-UHFFFAOYSA-N
XLogP2.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine (CID 90367961) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine is Cc1cccc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine?
The InChIKey is HZIKXVKKOCUUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-3-2-4-12(15-10)11-5-6-13-14(9-11)17-8-7-16-13/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine has a molecular weight of 227.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine is sourced from PubChem (CID 90367961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).