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

C8H7BrN2O — CID 53399660

IUPAC7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1ncc2cc[nH]c2c1Br
InChIInChI=1S/C8H7BrN2O/c1-12-8-6(9)7-5(4-11-8)2-3-10-7/h2-4,10H,1H3
InChIKeyZXZUHJRQHVJHJN-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.33
Rot. Bonds1

About 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine

7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine (PubChem CID 53399660) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
PubChem CID53399660
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1ncc2cc[nH]c2c1Br
InChIInChI=1S/C8H7BrN2O/c1-12-8-6(9)7-5(4-11-8)2-3-10-7/h2-4,10H,1H3
InChIKeyZXZUHJRQHVJHJN-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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine (CID 53399660) is 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine is COc1ncc2cc[nH]c2c1Br.
What is the InChIKey of 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is ZXZUHJRQHVJHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-12-8-6(9)7-5(4-11-8)2-3-10-7/h2-4,10H,1H3.
What are the key properties of 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine?
7-bromo-6-methoxy-1H-pyrrolo[3,2-c]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 7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53399660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).