N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine

C13H10N2O2 — CID 926170

IUPACN-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine
SMILESC(=N/c1ccc2c(c1)OCO2)\c1cccnc1
InChIInChI=1S/C13H10N2O2/c1-2-10(7-14-5-1)8-15-11-3-4-12-13(6-11)17-9-16-12/h1-8H,9H2/b15-8+
InChIKeyVZPLXGRDUJLQES-OVCLIPMQSA-N
MW226.23 g/mol
LogP2.56
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine

N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine (PubChem CID 926170) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine
PubChem CID926170
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine
SMILESC(=N/c1ccc2c(c1)OCO2)\c1cccnc1
InChIInChI=1S/C13H10N2O2/c1-2-10(7-14-5-1)8-15-11-3-4-12-13(6-11)17-9-16-12/h1-8H,9H2/b15-8+
InChIKeyVZPLXGRDUJLQES-OVCLIPMQSA-N
XLogP2.56
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine (CID 926170) is N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine is C(=N/c1ccc2c(c1)OCO2)\c1cccnc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine?
The InChIKey is VZPLXGRDUJLQES-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-2-10(7-14-5-1)8-15-11-3-4-12-13(6-11)17-9-16-12/h1-8H,9H2/b15-8+.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine?
N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine has a molecular weight of 226.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 926170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).