2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride

C9H14Cl2N2 — CID 146136837

IUPAC2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
SMILESCc1cc(C)c2c(n1)CNC2.Cl.Cl
InChIInChI=1S/C9H12N2.2ClH/c1-6-3-7(2)11-9-5-10-4-8(6)9;;/h3,10H,4-5H2,1-2H3;2*1H
InChIKeyHHHOEJZOAZSGJK-UHFFFAOYSA-N
MW221.13 g/mol
LogP2.15
Rot. Bonds

About 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride

2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride (PubChem CID 146136837) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
PubChem CID146136837
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC Name2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride
SMILESCc1cc(C)c2c(n1)CNC2.Cl.Cl
InChIInChI=1S/C9H12N2.2ClH/c1-6-3-7(2)11-9-5-10-4-8(6)9;;/h3,10H,4-5H2,1-2H3;2*1H
InChIKeyHHHOEJZOAZSGJK-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The IUPAC name of 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride (CID 146136837) is 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride.
What is the SMILES notation for 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The canonical SMILES for 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride is Cc1cc(C)c2c(n1)CNC2.Cl.Cl.
What is the InChIKey of 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
The InChIKey is HHHOEJZOAZSGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2ClH/c1-6-3-7(2)11-9-5-10-4-8(6)9;;/h3,10H,4-5H2,1-2H3;2*1H.
What are the key properties of 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride?
2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride has a molecular weight of 221.13 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;dihydrochloride is sourced from PubChem (CID 146136837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).