10-bromo-11H-benzo[c][1]benzazepine;hydrochloride

C14H11BrClN — CID 52941474

IUPAC10-bromo-11H-benzo[c][1]benzazepine;hydrochloride
SMILESBrc1cccc2c1Cc1ccccc1N=C2.Cl
InChIInChI=1S/C14H10BrN.ClH/c15-13-6-3-5-11-9-16-14-7-2-1-4-10(14)8-12(11)13;/h1-7,9H,8H2;1H
InChIKeyGTPVAXPIMADIIJ-UHFFFAOYSA-N
MW308.61 g/mol
LogP4.53
Rot. Bonds

About 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride

10-bromo-11H-benzo[c][1]benzazepine;hydrochloride (PubChem CID 52941474) has the molecular formula C14H11BrClN and a molecular weight of 308.61 g/mol. Its IUPAC name is 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride.

Molecular Properties

Compound Name10-bromo-11H-benzo[c][1]benzazepine;hydrochloride
PubChem CID52941474
Molecular FormulaC14H11BrClN
Molecular Weight308.61 g/mol
Exact Mass306.98
IUPAC Name10-bromo-11H-benzo[c][1]benzazepine;hydrochloride
SMILESBrc1cccc2c1Cc1ccccc1N=C2.Cl
InChIInChI=1S/C14H10BrN.ClH/c15-13-6-3-5-11-9-16-14-7-2-1-4-10(14)8-12(11)13;/h1-7,9H,8H2;1H
InChIKeyGTPVAXPIMADIIJ-UHFFFAOYSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride?
The IUPAC name of 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride (CID 52941474) is 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride.
What is the SMILES notation for 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride?
The canonical SMILES for 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride is Brc1cccc2c1Cc1ccccc1N=C2.Cl.
What is the InChIKey of 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride?
The InChIKey is GTPVAXPIMADIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN.ClH/c15-13-6-3-5-11-9-16-14-7-2-1-4-10(14)8-12(11)13;/h1-7,9H,8H2;1H.
What are the key properties of 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride?
10-bromo-11H-benzo[c][1]benzazepine;hydrochloride has a molecular weight of 308.61 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-11H-benzo[c][1]benzazepine;hydrochloride is sourced from PubChem (CID 52941474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).