6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride

C7H9ClN2 — CID 141495238

IUPAC6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride
SMILESC1=CC2=NCCCC2=N1.Cl
InChIInChI=1S/C7H8N2.ClH/c1-2-6-7(8-4-1)3-5-9-6;/h3,5H,1-2,4H2;1H
InChIKeyXUTJRULPMVFDMZ-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.61
Rot. Bonds

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

6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride (PubChem CID 141495238) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride
PubChem CID141495238
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride
SMILESC1=CC2=NCCCC2=N1.Cl
InChIInChI=1S/C7H8N2.ClH/c1-2-6-7(8-4-1)3-5-9-6;/h3,5H,1-2,4H2;1H
InChIKeyXUTJRULPMVFDMZ-UHFFFAOYSA-N
XLogP1.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride (CID 141495238) is 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride is C1=CC2=NCCCC2=N1.Cl.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride?
The InChIKey is XUTJRULPMVFDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.ClH/c1-2-6-7(8-4-1)3-5-9-6;/h3,5H,1-2,4H2;1H.
What are the key properties of 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride?
6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride has a molecular weight of 156.62 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[3,2-b]pyridine;hydrochloride is sourced from PubChem (CID 141495238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).