3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine

C9H9BrN2O — CID 133055733

IUPAC3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine
SMILESCOc1nccc2c1c(Br)cn2C
InChIInChI=1S/C9H9BrN2O/c1-12-5-6(10)8-7(12)3-4-11-9(8)13-2/h3-5H,1-2H3
InChIKeyOJENFGSEOXAKRJ-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.34
Rot. Bonds1

About 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine

3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine (PubChem CID 133055733) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine
PubChem CID133055733
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine
SMILESCOc1nccc2c1c(Br)cn2C
InChIInChI=1S/C9H9BrN2O/c1-12-5-6(10)8-7(12)3-4-11-9(8)13-2/h3-5H,1-2H3
InChIKeyOJENFGSEOXAKRJ-UHFFFAOYSA-N
XLogP2.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile
CID 133058980
8-bromo-1-methoxyisoquinoline
CID 68697338
methyl 3-amino-4-methoxy-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 76852703
4-bromo-3-iodo-2-methoxypyridine
CID 172993167
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
CID 91219578
4-bromo-2-methoxy-3-propan-2-yloxypyridine
CID 141302692
4-fluoro-1-methylpyrrolo[3,2-c]pyridin-3-ol
CID 133061751
3-bromo-5-methoxy-1-methylindole
CID 67003649
3,4-dichloro-2-methoxypyridine
CID 57485134
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
1,3-dimethylpyrrolo[3,2-c]pyridin-4-amine;propane
CID 158248521

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine?
The IUPAC name of 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine (CID 133055733) is 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine is COc1nccc2c1c(Br)cn2C.
What is the InChIKey of 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine?
The InChIKey is OJENFGSEOXAKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-5-6(10)8-7(12)3-4-11-9(8)13-2/h3-5H,1-2H3.
What are the key properties of 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine?
3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine has a molecular weight of 241.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 133055733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).