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

C15H13BrN2O — CID 91507947

IUPAC5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(Br)c(C)c12
InChIInChI=1S/C15H13BrN2O/c1-9-12(16)8-18-15-14(9)11(7-17-15)10-5-3-4-6-13(10)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyVZEBMXDZZJUDEK-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.31
Rot. Bonds2

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

5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 91507947) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID91507947
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(Br)c(C)c12
InChIInChI=1S/C15H13BrN2O/c1-9-12(16)8-18-15-14(9)11(7-17-15)10-5-3-4-6-13(10)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyVZEBMXDZZJUDEK-UHFFFAOYSA-N
XLogP4.31
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine (CID 91507947) is 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1c[nH]c2ncc(Br)c(C)c12.
What is the InChIKey of 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VZEBMXDZZJUDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-9-12(16)8-18-15-14(9)11(7-17-15)10-5-3-4-6-13(10)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 317.19 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91507947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).