2,3-dimethoxy-1,2-dihydropyridine

C7H11NO2 — CID 18619796

IUPAC2,3-dimethoxy-1,2-dihydropyridine
SMILESCOC1=CC=CNC1OC
InChIInChI=1S/C7H11NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5,7-8H,1-2H3
InChIKeyICPOFVBYTUCDSP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.61
Rot. Bonds2

About 2,3-dimethoxy-1,2-dihydropyridine

2,3-dimethoxy-1,2-dihydropyridine (PubChem CID 18619796) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,3-dimethoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2,3-dimethoxy-1,2-dihydropyridine
PubChem CID18619796
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2,3-dimethoxy-1,2-dihydropyridine
SMILESCOC1=CC=CNC1OC
InChIInChI=1S/C7H11NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5,7-8H,1-2H3
InChIKeyICPOFVBYTUCDSP-UHFFFAOYSA-N
XLogP0.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-1,2-dihydropyridine?
The IUPAC name of 2,3-dimethoxy-1,2-dihydropyridine (CID 18619796) is 2,3-dimethoxy-1,2-dihydropyridine.
What is the SMILES notation for 2,3-dimethoxy-1,2-dihydropyridine?
The canonical SMILES for 2,3-dimethoxy-1,2-dihydropyridine is COC1=CC=CNC1OC.
What is the InChIKey of 2,3-dimethoxy-1,2-dihydropyridine?
The InChIKey is ICPOFVBYTUCDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5,7-8H,1-2H3.
What are the key properties of 2,3-dimethoxy-1,2-dihydropyridine?
2,3-dimethoxy-1,2-dihydropyridine has a molecular weight of 141.17 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-1,2-dihydropyridine is sourced from PubChem (CID 18619796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).