5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine

C20H15BrN2O — CID 10429778

IUPAC5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)[nH]c3ncc(Br)cc23)cc1
InChIInChI=1S/C20H15BrN2O/c1-24-16-9-7-13(8-10-16)18-17-11-15(21)12-22-20(17)23-19(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)
InChIKeyHKTFAWGXWIWSIB-UHFFFAOYSA-N
MW379.26 g/mol
LogP5.67
Rot. Bonds3

About 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10429778) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID10429778
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)[nH]c3ncc(Br)cc23)cc1
InChIInChI=1S/C20H15BrN2O/c1-24-16-9-7-13(8-10-16)18-17-11-15(21)12-22-20(17)23-19(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)
InChIKeyHKTFAWGXWIWSIB-UHFFFAOYSA-N
XLogP5.67
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.26
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 10429778) is 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c(-c3ccccc3)[nH]c3ncc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HKTFAWGXWIWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O/c1-24-16-9-7-13(8-10-16)18-17-11-15(21)12-22-20(17)23-19(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23).
What are the key properties of 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 379.26 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10429778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).