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

C7H6BrClN2 — CID 89116539

IUPAC3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1C=c2c(Br)c[nH]c2=NC1
InChIInChI=1S/C7H6BrClN2/c8-6-3-11-7-5(6)1-4(9)2-10-7/h1,3-4H,2H2,(H,10,11)
InChIKeyJLJLULKOSSNXFW-UHFFFAOYSA-N
MW233.50 g/mol
LogP0.80
Rot. Bonds

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

3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89116539) has the molecular formula C7H6BrClN2 and a molecular weight of 233.50 g/mol. Its IUPAC name is 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89116539
Molecular FormulaC7H6BrClN2
Molecular Weight233.50 g/mol
Exact Mass231.94
IUPAC Name3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1C=c2c(Br)c[nH]c2=NC1
InChIInChI=1S/C7H6BrClN2/c8-6-3-11-7-5(6)1-4(9)2-10-7/h1,3-4H,2H2,(H,10,11)
InChIKeyJLJLULKOSSNXFW-UHFFFAOYSA-N
XLogP0.80
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.50
LogP ≤ 50.80
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 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 89116539) is 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is ClC1C=c2c(Br)c[nH]c2=NC1.
What is the InChIKey of 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JLJLULKOSSNXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2/c8-6-3-11-7-5(6)1-4(9)2-10-7/h1,3-4H,2H2,(H,10,11).
What are the key properties of 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 233.50 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89116539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).