7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole

C13H9BrN2 — CID 10084660

IUPAC7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole
SMILESC=Cc1nccc2c1[nH]c1cc(Br)ccc12
InChIInChI=1S/C13H9BrN2/c1-2-11-13-10(5-6-15-11)9-4-3-8(14)7-12(9)16-13/h2-7,16H,1H2
InChIKeyNGUUMPOEQGEUOE-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.12
Rot. Bonds1

About 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole

7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole (PubChem CID 10084660) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole
PubChem CID10084660
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole
SMILESC=Cc1nccc2c1[nH]c1cc(Br)ccc12
InChIInChI=1S/C13H9BrN2/c1-2-11-13-10(5-6-15-11)9-4-3-8(14)7-12(9)16-13/h2-7,16H,1H2
InChIKeyNGUUMPOEQGEUOE-UHFFFAOYSA-N
XLogP4.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole (CID 10084660) is 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole is C=Cc1nccc2c1[nH]c1cc(Br)ccc12.
What is the InChIKey of 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole?
The InChIKey is NGUUMPOEQGEUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c1-2-11-13-10(5-6-15-11)9-4-3-8(14)7-12(9)16-13/h2-7,16H,1H2.
What are the key properties of 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole?
7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole has a molecular weight of 273.13 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-ethenyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10084660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).