3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride

C8H12Cl2N2O — CID 154727396

IUPAC3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
SMILESCOc1cnc2c(c1)CNC2.Cl.Cl
InChIInChI=1S/C8H10N2O.2ClH/c1-11-7-2-6-3-9-5-8(6)10-4-7;;/h2,4,9H,3,5H2,1H3;2*1H
InChIKeyPJJGMZDFZVQUEP-UHFFFAOYSA-N
MW223.10 g/mol
LogP1.54
Rot. Bonds1

About 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride

3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride (PubChem CID 154727396) has the molecular formula C8H12Cl2N2O and a molecular weight of 223.10 g/mol. Its IUPAC name is 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
PubChem CID154727396
Molecular FormulaC8H12Cl2N2O
Molecular Weight223.10 g/mol
Exact Mass222.03
IUPAC Name3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
SMILESCOc1cnc2c(c1)CNC2.Cl.Cl
InChIInChI=1S/C8H10N2O.2ClH/c1-11-7-2-6-3-9-5-8(6)10-4-7;;/h2,4,9H,3,5H2,1H3;2*1H
InChIKeyPJJGMZDFZVQUEP-UHFFFAOYSA-N
XLogP1.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride 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 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The IUPAC name of 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride (CID 154727396) is 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride.
What is the SMILES notation for 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The canonical SMILES for 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride is COc1cnc2c(c1)CNC2.Cl.Cl.
What is the InChIKey of 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The InChIKey is PJJGMZDFZVQUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.2ClH/c1-11-7-2-6-3-9-5-8(6)10-4-7;;/h2,4,9H,3,5H2,1H3;2*1H.
What are the key properties of 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride has a molecular weight of 223.10 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride is sourced from PubChem (CID 154727396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).