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

C8H7BrN2O — CID 87242315

IUPAC6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc2ccc(Br)nc2[nH]1
InChIInChI=1S/C8H7BrN2O/c1-12-7-4-5-2-3-6(9)10-8(5)11-7/h2-4H,1H3,(H,10,11)
InChIKeyYUAWVAQYBZOCOE-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.33
Rot. Bonds1

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

6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 87242315) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID87242315
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc2ccc(Br)nc2[nH]1
InChIInChI=1S/C8H7BrN2O/c1-12-7-4-5-2-3-6(9)10-8(5)11-7/h2-4H,1H3,(H,10,11)
InChIKeyYUAWVAQYBZOCOE-UHFFFAOYSA-N
XLogP2.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine (CID 87242315) is 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine is COc1cc2ccc(Br)nc2[nH]1.
What is the InChIKey of 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YUAWVAQYBZOCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-12-7-4-5-2-3-6(9)10-8(5)11-7/h2-4H,1H3,(H,10,11).
What are the key properties of 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine?
6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 227.06 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 87242315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).