2H-pyrrolo[3,2-b]pyridine;dihydrochloride

C7H8Cl2N2 — CID 162311093

IUPAC2H-pyrrolo[3,2-b]pyridine;dihydrochloride
SMILESC1=c2ncccc2=NC1.Cl.Cl
InChIInChI=1S/C7H6N2.2ClH/c1-2-6-7(8-4-1)3-5-9-6;;/h1-4H,5H2;2*1H
InChIKeyBOOOXVNWYQQYBG-UHFFFAOYSA-N
MW191.06 g/mol
LogP0.34
Rot. Bonds

About 2H-pyrrolo[3,2-b]pyridine;dihydrochloride

2H-pyrrolo[3,2-b]pyridine;dihydrochloride (PubChem CID 162311093) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is 2H-pyrrolo[3,2-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name2H-pyrrolo[3,2-b]pyridine;dihydrochloride
PubChem CID162311093
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name2H-pyrrolo[3,2-b]pyridine;dihydrochloride
SMILESC1=c2ncccc2=NC1.Cl.Cl
InChIInChI=1S/C7H6N2.2ClH/c1-2-6-7(8-4-1)3-5-9-6;;/h1-4H,5H2;2*1H
InChIKeyBOOOXVNWYQQYBG-UHFFFAOYSA-N
XLogP0.34
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[3,2-b]pyridine;dihydrochloride?
The IUPAC name of 2H-pyrrolo[3,2-b]pyridine;dihydrochloride (CID 162311093) is 2H-pyrrolo[3,2-b]pyridine;dihydrochloride.
What is the SMILES notation for 2H-pyrrolo[3,2-b]pyridine;dihydrochloride?
The canonical SMILES for 2H-pyrrolo[3,2-b]pyridine;dihydrochloride is C1=c2ncccc2=NC1.Cl.Cl.
What is the InChIKey of 2H-pyrrolo[3,2-b]pyridine;dihydrochloride?
The InChIKey is BOOOXVNWYQQYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.2ClH/c1-2-6-7(8-4-1)3-5-9-6;;/h1-4H,5H2;2*1H.
What are the key properties of 2H-pyrrolo[3,2-b]pyridine;dihydrochloride?
2H-pyrrolo[3,2-b]pyridine;dihydrochloride has a molecular weight of 191.06 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[3,2-b]pyridine;dihydrochloride is sourced from PubChem (CID 162311093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).