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

C14H11BrN2O — CID 59699787

IUPAC5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H11BrN2O/c1-18-13-5-3-2-4-10(13)12-8-17-14-11(12)6-9(15)7-16-14/h2-8H,1H3,(H,16,17)
InChIKeyUWBXQMQUOGPEKU-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.00
Rot. Bonds2

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

5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59699787) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59699787
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H11BrN2O/c1-18-13-5-3-2-4-10(13)12-8-17-14-11(12)6-9(15)7-16-14/h2-8H,1H3,(H,16,17)
InChIKeyUWBXQMQUOGPEKU-UHFFFAOYSA-N
XLogP4.00
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.00
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)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 59699787) is 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UWBXQMQUOGPEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-18-13-5-3-2-4-10(13)12-8-17-14-11(12)6-9(15)7-16-14/h2-8H,1H3,(H,16,17).
What are the key properties of 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 303.16 g/mol, XLogP of 4.00, 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)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59699787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).