4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine

C15H13BrN2OS — CID 144684234

IUPAC4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine
SMILESCc1ccc(S(=O)n2ccc3c(Br)cnc(C)c32)cc1
InChIInChI=1S/C15H13BrN2OS/c1-10-3-5-12(6-4-10)20(19)18-8-7-13-14(16)9-17-11(2)15(13)18/h3-9H,1-2H3
InChIKeyKZFFQSVRSASNGY-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.99
Rot. Bonds2

About 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine

4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine (PubChem CID 144684234) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine
PubChem CID144684234
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine
SMILESCc1ccc(S(=O)n2ccc3c(Br)cnc(C)c32)cc1
InChIInChI=1S/C15H13BrN2OS/c1-10-3-5-12(6-4-10)20(19)18-8-7-13-14(16)9-17-11(2)15(13)18/h3-9H,1-2H3
InChIKeyKZFFQSVRSASNGY-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine?
The IUPAC name of 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine (CID 144684234) is 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine is Cc1ccc(S(=O)n2ccc3c(Br)cnc(C)c32)cc1.
What is the InChIKey of 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine?
The InChIKey is KZFFQSVRSASNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-10-3-5-12(6-4-10)20(19)18-8-7-13-14(16)9-17-11(2)15(13)18/h3-9H,1-2H3.
What are the key properties of 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine?
4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine has a molecular weight of 349.25 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methyl-1-(4-methylphenyl)sulfinylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 144684234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).