3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C22H15Br2I2N3O2S — CID 157166774

IUPAC3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESBrc1cnc2c(c1)C(I)=CC2.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1
InChIInChI=1S/C14H10BrIN2O2S.C8H5BrIN/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;9-5-3-6-7(10)1-2-8(6)11-4-5/h2-8H,1H3;1,3-4H,2H2
InChIKeyAMZUHEVGQXCYQI-UHFFFAOYSA-N
MW799.06 g/mol
LogP7.12
Rot. Bonds2

About 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 157166774) has the molecular formula C22H15Br2I2N3O2S and a molecular weight of 799.06 g/mol. Its IUPAC name is 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID157166774
Molecular FormulaC22H15Br2I2N3O2S
Molecular Weight799.06 g/mol
Exact Mass796.73
IUPAC Name3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESBrc1cnc2c(c1)C(I)=CC2.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1
InChIInChI=1S/C14H10BrIN2O2S.C8H5BrIN/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;9-5-3-6-7(10)1-2-8(6)11-4-5/h2-8H,1H3;1,3-4H,2H2
InChIKeyAMZUHEVGQXCYQI-UHFFFAOYSA-N
XLogP7.12
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.06
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 44527045
5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
CID 155815886
1-(Toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 1479966
1-Benzenesulfonyl-5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine
CID 24229240
2-Bromo-7-iodo-5-tosyl-5H-pyrrolo[2,3-B]pyrazine
CID 45789631
5-Bromo-2-ethyl-1-(phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 49761636
1-(Benzenesulfonyl)-5-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine
CID 50987377
4-iodo-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 58691740
3-bromo-5-fluoro-1-tosyl-1H-pyrrolo(2,3-b)pyridine
CID 71251330
4-[1-(4-Bromophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 137646378
1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
CID 172434569
1-(2-Bromophenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
CID 172436404

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 157166774) is 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Brc1cnc2c(c1)C(I)=CC2.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1.
What is the InChIKey of 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is AMZUHEVGQXCYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIN2O2S.C8H5BrIN/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;9-5-3-6-7(10)1-2-8(6)11-4-5/h2-8H,1H3;1,3-4H,2H2.
What are the key properties of 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 799.06 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157166774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).