3-(1,3-benzodioxol-5-ylmethyl)pyridine

C13H11NO2 — CID 173231937

IUPAC3-(1,3-benzodioxol-5-ylmethyl)pyridine
SMILESc1cncc(Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C13H11NO2/c1-2-11(8-14-5-1)6-10-3-4-12-13(7-10)16-9-15-12/h1-5,7-8H,6,9H2
InChIKeyMUJCHEHLOJPLKR-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.40
Rot. Bonds2

About 3-(1,3-benzodioxol-5-ylmethyl)pyridine

3-(1,3-benzodioxol-5-ylmethyl)pyridine (PubChem CID 173231937) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethyl)pyridine
PubChem CID173231937
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-(1,3-benzodioxol-5-ylmethyl)pyridine
SMILESc1cncc(Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C13H11NO2/c1-2-11(8-14-5-1)6-10-3-4-12-13(7-10)16-9-15-12/h1-5,7-8H,6,9H2
InChIKeyMUJCHEHLOJPLKR-UHFFFAOYSA-N
XLogP2.40
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)ethyl-(pyridin-3-ylmethyl)azanium
CID 6997529
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
1,3-benzodioxol-5-ylmethyl(pyridin-3-ylmethyl)carbamodithioic acid
CID 102336345
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-bis(pyridin-3-ylmethyl)methanamine
CID 23766878
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 20875720
1-(1,3-benzodioxol-5-yl)-N-[(3,5-dichloro-4-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 46985761
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
5-(1,3-benzodioxol-5-ylmethyl)-2-(trifluoromethyl)pyridine
CID 154715537
1-(1,3-benzodioxol-5-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 46966464

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)pyridine (CID 173231937) is 3-(1,3-benzodioxol-5-ylmethyl)pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethyl)pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethyl)pyridine is c1cncc(Cc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethyl)pyridine?
The InChIKey is MUJCHEHLOJPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-2-11(8-14-5-1)6-10-3-4-12-13(7-10)16-9-15-12/h1-5,7-8H,6,9H2.
What are the key properties of 3-(1,3-benzodioxol-5-ylmethyl)pyridine?
3-(1,3-benzodioxol-5-ylmethyl)pyridine has a molecular weight of 213.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethyl)pyridine is sourced from PubChem (CID 173231937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).