5,6-dimethoxy-1-propyl-2H-pyridine

C10H17NO2 — CID 70580547

IUPAC5,6-dimethoxy-1-propyl-2H-pyridine
SMILESCCCN1CC=CC(OC)=C1OC
InChIInChI=1S/C10H17NO2/c1-4-7-11-8-5-6-9(12-2)10(11)13-3/h5-6H,4,7-8H2,1-3H3
InChIKeyAPENULZWVWXVAK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.73
Rot. Bonds4

About 5,6-dimethoxy-1-propyl-2H-pyridine

5,6-dimethoxy-1-propyl-2H-pyridine (PubChem CID 70580547) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5,6-dimethoxy-1-propyl-2H-pyridine.

Molecular Properties

Compound Name5,6-dimethoxy-1-propyl-2H-pyridine
PubChem CID70580547
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5,6-dimethoxy-1-propyl-2H-pyridine
SMILESCCCN1CC=CC(OC)=C1OC
InChIInChI=1S/C10H17NO2/c1-4-7-11-8-5-6-9(12-2)10(11)13-3/h5-6H,4,7-8H2,1-3H3
InChIKeyAPENULZWVWXVAK-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dimethoxy-1-propyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-propyl-2H-pyridine?
The IUPAC name of 5,6-dimethoxy-1-propyl-2H-pyridine (CID 70580547) is 5,6-dimethoxy-1-propyl-2H-pyridine.
What is the SMILES notation for 5,6-dimethoxy-1-propyl-2H-pyridine?
The canonical SMILES for 5,6-dimethoxy-1-propyl-2H-pyridine is CCCN1CC=CC(OC)=C1OC.
What is the InChIKey of 5,6-dimethoxy-1-propyl-2H-pyridine?
The InChIKey is APENULZWVWXVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-7-11-8-5-6-9(12-2)10(11)13-3/h5-6H,4,7-8H2,1-3H3.
What are the key properties of 5,6-dimethoxy-1-propyl-2H-pyridine?
5,6-dimethoxy-1-propyl-2H-pyridine has a molecular weight of 183.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-propyl-2H-pyridine is sourced from PubChem (CID 70580547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).