3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H7ClN2 — CID 176929256

IUPAC3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1=CNC2N=CC=CC12
InChIInChI=1S/C7H7ClN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-5,7,10H
InChIKeyJBSVCVUFGYEYQH-UHFFFAOYSA-N
MW154.60 g/mol
LogP1.25
Rot. Bonds

About 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 176929256) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID176929256
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1=CNC2N=CC=CC12
InChIInChI=1S/C7H7ClN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-5,7,10H
InChIKeyJBSVCVUFGYEYQH-UHFFFAOYSA-N
XLogP1.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 176929256) is 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is ClC1=CNC2N=CC=CC12.
What is the InChIKey of 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JBSVCVUFGYEYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-5,7,10H.
What are the key properties of 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 154.60 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 176929256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).