4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine

C9H9BrN2O3S — CID 118246593

IUPAC4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine
SMILESCOc1ncc(Br)c2ccn(S(C)(=O)=O)c12
InChIInChI=1S/C9H9BrN2O3S/c1-15-9-8-6(7(10)5-11-9)3-4-12(8)16(2,13)14/h3-5H,1-2H3
InChIKeyKUIGMDZITNAPHU-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.62
Rot. Bonds2

About 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine

4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine (PubChem CID 118246593) has the molecular formula C9H9BrN2O3S and a molecular weight of 305.15 g/mol. Its IUPAC name is 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine
PubChem CID118246593
Molecular FormulaC9H9BrN2O3S
Molecular Weight305.15 g/mol
Exact Mass303.95
IUPAC Name4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine
SMILESCOc1ncc(Br)c2ccn(S(C)(=O)=O)c12
InChIInChI=1S/C9H9BrN2O3S/c1-15-9-8-6(7(10)5-11-9)3-4-12(8)16(2,13)14/h3-5H,1-2H3
InChIKeyKUIGMDZITNAPHU-UHFFFAOYSA-N
XLogP1.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine?
The IUPAC name of 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine (CID 118246593) is 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine is COc1ncc(Br)c2ccn(S(C)(=O)=O)c12.
What is the InChIKey of 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine?
The InChIKey is KUIGMDZITNAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3S/c1-15-9-8-6(7(10)5-11-9)3-4-12(8)16(2,13)14/h3-5H,1-2H3.
What are the key properties of 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine?
4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine has a molecular weight of 305.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 118246593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).