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

C9H9BrN2O2 — CID 59432611

IUPAC3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1cc2[nH]cc(Br)c2nc1OC
InChIInChI=1S/C9H9BrN2O2/c1-13-7-3-6-8(5(10)4-11-6)12-9(7)14-2/h3-4,11H,1-2H3
InChIKeyPRRFSQONYVTSGN-UHFFFAOYSA-N
MW257.09 g/mol
LogP2.34
Rot. Bonds2

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

3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine (PubChem CID 59432611) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine
PubChem CID59432611
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1cc2[nH]cc(Br)c2nc1OC
InChIInChI=1S/C9H9BrN2O2/c1-13-7-3-6-8(5(10)4-11-6)12-9(7)14-2/h3-4,11H,1-2H3
InChIKeyPRRFSQONYVTSGN-UHFFFAOYSA-N
XLogP2.34
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine (CID 59432611) is 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine is COc1cc2[nH]cc(Br)c2nc1OC.
What is the InChIKey of 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is PRRFSQONYVTSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-13-7-3-6-8(5(10)4-11-6)12-9(7)14-2/h3-4,11H,1-2H3.
What are the key properties of 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine?
3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 257.09 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6-dimethoxy-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 59432611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).