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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Related Compounds

5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 10321281
5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 22477574
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
CID 10308352
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932
2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746093
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 70115518

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).