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

C7H4BrClN2 — CID 53412582

IUPAC3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc2c(Br)c[nH]c2n1
InChIInChI=1S/C7H4BrClN2/c8-5-3-10-7-4(5)1-2-6(9)11-7/h1-3H,(H,10,11)
InChIKeyRGRPIZFOVAXYRU-UHFFFAOYSA-N
MW231.48 g/mol
LogP2.98
Rot. Bonds

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

3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 53412582) has the molecular formula C7H4BrClN2 and a molecular weight of 231.48 g/mol. Its IUPAC name is 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
PubChem CID53412582
Molecular FormulaC7H4BrClN2
Molecular Weight231.48 g/mol
Exact Mass229.92
IUPAC Name3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc2c(Br)c[nH]c2n1
InChIInChI=1S/C7H4BrClN2/c8-5-3-10-7-4(5)1-2-6(9)11-7/h1-3H,(H,10,11)
InChIKeyRGRPIZFOVAXYRU-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine (CID 53412582) is 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine is Clc1ccc2c(Br)c[nH]c2n1.
What is the InChIKey of 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RGRPIZFOVAXYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2/c8-5-3-10-7-4(5)1-2-6(9)11-7/h1-3H,(H,10,11).
What are the key properties of 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine?
3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 231.48 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53412582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).