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

C14H13NO2 — CID 135025433

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine
SMILESCc1ccnc(C2COc3ccccc3O2)c1
InChIInChI=1S/C14H13NO2/c1-10-6-7-15-11(8-10)14-9-16-12-4-2-3-5-13(12)17-14/h2-8,14H,9H2,1H3
InChIKeyQWIWXAXLQYTDHP-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.90
Rot. Bonds1

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

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine (PubChem CID 135025433) 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-3-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine
PubChem CID135025433
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine
SMILESCc1ccnc(C2COc3ccccc3O2)c1
InChIInChI=1S/C14H13NO2/c1-10-6-7-15-11(8-10)14-9-16-12-4-2-3-5-13(12)17-14/h2-8,14H,9H2,1H3
InChIKeyQWIWXAXLQYTDHP-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine
CID 129498299
3-[(3-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
CID 46849851
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol
CID 65351888
2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride
CID 2836304
2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
CID 25124332
methyl 2-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-4-carboxylate
CID 167803822
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17015658
N-[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 7158202
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate
CID 66774628
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine
CID 65350725
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]ethanamine
CID 65352133
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine (CID 135025433) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine is Cc1ccnc(C2COc3ccccc3O2)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine?
The InChIKey is QWIWXAXLQYTDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-6-7-15-11(8-10)14-9-16-12-4-2-3-5-13(12)17-14/h2-8,14H,9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine has a molecular weight of 227.26 g/mol, XLogP of 2.90, 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-3-yl)-4-methylpyridine is sourced from PubChem (CID 135025433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).