4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride

C7H8Cl2N2 — CID 71303349

IUPAC4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride
SMILESCl.Clc1ccnc2c1CNC2
InChIInChI=1S/C7H7ClN2.ClH/c8-6-1-2-10-7-4-9-3-5(6)7;/h1-2,9H,3-4H2;1H
InChIKeyWFMMYLYVLCXQNS-UHFFFAOYSA-N
MW191.06 g/mol
LogP1.76
Rot. Bonds

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

4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride (PubChem CID 71303349) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride
PubChem CID71303349
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride
SMILESCl.Clc1ccnc2c1CNC2
InChIInChI=1S/C7H7ClN2.ClH/c8-6-1-2-10-7-4-9-3-5(6)7;/h1-2,9H,3-4H2;1H
InChIKeyWFMMYLYVLCXQNS-UHFFFAOYSA-N
XLogP1.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride?
The IUPAC name of 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride (CID 71303349) is 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride?
The canonical SMILES for 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride is Cl.Clc1ccnc2c1CNC2.
What is the InChIKey of 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride?
The InChIKey is WFMMYLYVLCXQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2.ClH/c8-6-1-2-10-7-4-9-3-5(6)7;/h1-2,9H,3-4H2;1H.
What are the key properties of 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride?
4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride has a molecular weight of 191.06 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 71303349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).