5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H7ClN2 — CID 89259806

IUPAC5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1C=c2cc[nH]c2=NC1
InChIInChI=1S/C7H7ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-3,6H,4H2,(H,9,10)
InChIKeyMVCIBAOYJGAUKS-UHFFFAOYSA-N
MW154.60 g/mol
LogP0.04
Rot. Bonds

About 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89259806) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89259806
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1C=c2cc[nH]c2=NC1
InChIInChI=1S/C7H7ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-3,6H,4H2,(H,9,10)
InChIKeyMVCIBAOYJGAUKS-UHFFFAOYSA-N
XLogP0.04
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 89259806) is 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is ClC1C=c2cc[nH]c2=NC1.
What is the InChIKey of 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MVCIBAOYJGAUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-3,6H,4H2,(H,9,10).
What are the key properties of 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 154.60 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89259806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).