2-bromobenzo[c][1,5]benzodiazocine

C14H9BrN2 — CID 102228634

IUPAC2-bromobenzo[c][1,5]benzodiazocine
SMILESBrc1cc/c2c(c1)=C/N=c1/ccccc1=C/N=2
InChIInChI=1S/C14H9BrN2/c15-12-5-6-14-11(7-12)9-17-13-4-2-1-3-10(13)8-16-14/h1-9H/b10-8?,11-9?,16-8?,16-14-,17-9?,17-13-
InChIKeyLUYNTPRCZZMLEJ-ZPCSFWEYSA-N
MW285.14 g/mol
LogP0.88
Rot. Bonds

About 2-bromobenzo[c][1,5]benzodiazocine

2-bromobenzo[c][1,5]benzodiazocine (PubChem CID 102228634) has the molecular formula C14H9BrN2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-bromobenzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name2-bromobenzo[c][1,5]benzodiazocine
PubChem CID102228634
Molecular FormulaC14H9BrN2
Molecular Weight285.14 g/mol
Exact Mass283.99
IUPAC Name2-bromobenzo[c][1,5]benzodiazocine
SMILESBrc1cc/c2c(c1)=C/N=c1/ccccc1=C/N=2
InChIInChI=1S/C14H9BrN2/c15-12-5-6-14-11(7-12)9-17-13-4-2-1-3-10(13)8-16-14/h1-9H/b10-8?,11-9?,16-8?,16-14-,17-9?,17-13-
InChIKeyLUYNTPRCZZMLEJ-ZPCSFWEYSA-N
XLogP0.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
(1Z)-1-Benzazocine
CID 17846319
Dibenz[b,f]azocine
CID 23633137
Dibenzo[b,f][1,4]diazocine
CID 11969075
Benz[b]azocine
CID 23636810
2,4,8,10-Tetrabromobenzo[c][1,5]benzodiazocine
CID 91369369
Dibenzo[1,4]diazocine
CID 132427026
2,4,8,10-Tetrabromodibenzo[b,f][1,5]diazocine
CID 137178508
5-Bromo-2,3-dihydroquinoline
CID 22042156
(6Z,10aZ,12Z)-benzo[c][1]benzazocine;hydrochloride
CID 23633136
7-bromo-2H-quinazolin-2-ide;propane;yttrium
CID 58546985
7-bromo-2H-quinoxalin-2-ide;propane;yttrium
CID 58547559

Frequently Asked Questions

What is the IUPAC name of 2-bromobenzo[c][1,5]benzodiazocine?
The IUPAC name of 2-bromobenzo[c][1,5]benzodiazocine (CID 102228634) is 2-bromobenzo[c][1,5]benzodiazocine.
What is the SMILES notation for 2-bromobenzo[c][1,5]benzodiazocine?
The canonical SMILES for 2-bromobenzo[c][1,5]benzodiazocine is Brc1cc/c2c(c1)=C/N=c1/ccccc1=C/N=2.
What is the InChIKey of 2-bromobenzo[c][1,5]benzodiazocine?
The InChIKey is LUYNTPRCZZMLEJ-ZPCSFWEYSA-N. The full InChI is InChI=1S/C14H9BrN2/c15-12-5-6-14-11(7-12)9-17-13-4-2-1-3-10(13)8-16-14/h1-9H/b10-8?,11-9?,16-8?,16-14-,17-9?,17-13-.
What are the key properties of 2-bromobenzo[c][1,5]benzodiazocine?
2-bromobenzo[c][1,5]benzodiazocine has a molecular weight of 285.14 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzo[c][1,5]benzodiazocine is sourced from PubChem (CID 102228634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).