3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine

C20H15IN2 — CID 173167513

IUPAC3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(-n2cc(I)c3cc(-c4ccccc4)cnc32)cc1
InChIInChI=1S/C20H15IN2/c1-14-7-9-17(10-8-14)23-13-19(21)18-11-16(12-22-20(18)23)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyPTFRQCHPYDIXCC-UHFFFAOYSA-N
MW410.26 g/mol
LogP5.61
Rot. Bonds2

About 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine

3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine (PubChem CID 173167513) has the molecular formula C20H15IN2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine
PubChem CID173167513
Molecular FormulaC20H15IN2
Molecular Weight410.26 g/mol
Exact Mass410.03
IUPAC Name3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(-n2cc(I)c3cc(-c4ccccc4)cnc32)cc1
InChIInChI=1S/C20H15IN2/c1-14-7-9-17(10-8-14)23-13-19(21)18-11-16(12-22-20(18)23)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyPTFRQCHPYDIXCC-UHFFFAOYSA-N
XLogP5.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole
CID 134214427
2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine
CID 169258234
4-iodo-2-(4-methylphenyl)isoquinolin-1-one
CID 164853851
1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
4-(3-iodo-1-phenylperoxysulfanylpyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline
CID 59811949
2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole
CID 42605305
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)pyrido[2,3-b]indole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)pyrido[2,3-b]indole;9-phenyl-3-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole
CID 162059375
4-methyl-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 138661699
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
3,9-dimethyl-6-phenylcarbazole
CID 59499447

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine (CID 173167513) is 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine is Cc1ccc(-n2cc(I)c3cc(-c4ccccc4)cnc32)cc1.
What is the InChIKey of 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is PTFRQCHPYDIXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15IN2/c1-14-7-9-17(10-8-14)23-13-19(21)18-11-16(12-22-20(18)23)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine?
3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 410.26 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(4-methylphenyl)-5-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 173167513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).