4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine

C7H7ClN2 — CID 90952849

IUPAC4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine
SMILESClC1=C2CC=NC2CC=N1
InChIInChI=1S/C7H7ClN2/c8-7-5-1-3-9-6(5)2-4-10-7/h3-4,6H,1-2H2
InChIKeyVNVMNRLRAHZGEK-UHFFFAOYSA-N
MW154.60 g/mol
LogP1.75
Rot. Bonds

About 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine

4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine (PubChem CID 90952849) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine
PubChem CID90952849
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine
SMILESClC1=C2CC=NC2CC=N1
InChIInChI=1S/C7H7ClN2/c8-7-5-1-3-9-6(5)2-4-10-7/h3-4,6H,1-2H2
InChIKeyVNVMNRLRAHZGEK-UHFFFAOYSA-N
XLogP1.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine (CID 90952849) is 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine is ClC1=C2CC=NC2CC=N1.
What is the InChIKey of 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine?
The InChIKey is VNVMNRLRAHZGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-7-5-1-3-9-6(5)2-4-10-7/h3-4,6H,1-2H2.
What are the key properties of 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine?
4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine has a molecular weight of 154.60 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7,7a-dihydro-3H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 90952849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).