6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine

C15H15NO3 — CID 123176959

IUPAC6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine
SMILESCOc1nc(Cc2ccc3c(c2)OCO3)ccc1C
InChIInChI=1S/C15H15NO3/c1-10-3-5-12(16-15(10)17-2)7-11-4-6-13-14(8-11)19-9-18-13/h3-6,8H,7,9H2,1-2H3
InChIKeyXFVKUYPNLFXPHX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.72
Rot. Bonds3

About 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine

6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine (PubChem CID 123176959) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine
PubChem CID123176959
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine
SMILESCOc1nc(Cc2ccc3c(c2)OCO3)ccc1C
InChIInChI=1S/C15H15NO3/c1-10-3-5-12(16-15(10)17-2)7-11-4-6-13-14(8-11)19-9-18-13/h3-6,8H,7,9H2,1-2H3
InChIKeyXFVKUYPNLFXPHX-UHFFFAOYSA-N
XLogP2.72
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluoro-4-methylphenyl)methyl]-1,3-benzodioxole
CID 153168719
[3-(1,3-benzodioxol-5-ylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
CID 21222641
4-(1,3-benzodioxol-5-ylmethyl)pyrimidine
CID 91734828
4-(1,3-benzodioxol-5-ylmethyl)-5-methyltriazine
CID 68985964
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 115626945
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 2249781
2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 90665682
1,3-benzodioxol-5-ylmethyl-[(5-chloro-2-methoxyphenyl)methyl]azanium
CID 7458309
1-[1,3-benzodioxol-5-ylmethyl-[(2-methoxy-7-methylquinolin-3-yl)methyl]amino]propan-2-ol
CID 46962135
2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122302770
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine (CID 123176959) is 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine is COc1nc(Cc2ccc3c(c2)OCO3)ccc1C.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine?
The InChIKey is XFVKUYPNLFXPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-3-5-12(16-15(10)17-2)7-11-4-6-13-14(8-11)19-9-18-13/h3-6,8H,7,9H2,1-2H3.
What are the key properties of 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine?
6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine has a molecular weight of 257.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-3-methylpyridine is sourced from PubChem (CID 123176959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).