4-bromo-1H-1-benzazepine

C10H8BrN — CID 19388528

IUPAC4-bromo-1H-1-benzazepine
SMILESBrC1=Cc2ccccc2NC=C1
InChIInChI=1S/C10H8BrN/c11-9-5-6-12-10-4-2-1-3-8(10)7-9/h1-7,12H
InChIKeyRQDDQKMKOJBQBH-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.36
Rot. Bonds

About 4-bromo-1H-1-benzazepine

4-bromo-1H-1-benzazepine (PubChem CID 19388528) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 4-bromo-1H-1-benzazepine.

Molecular Properties

Compound Name4-bromo-1H-1-benzazepine
PubChem CID19388528
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name4-bromo-1H-1-benzazepine
SMILESBrC1=Cc2ccccc2NC=C1
InChIInChI=1S/C10H8BrN/c11-9-5-6-12-10-4-2-1-3-8(10)7-9/h1-7,12H
InChIKeyRQDDQKMKOJBQBH-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-1-benzazepine?
The IUPAC name of 4-bromo-1H-1-benzazepine (CID 19388528) is 4-bromo-1H-1-benzazepine.
What is the SMILES notation for 4-bromo-1H-1-benzazepine?
The canonical SMILES for 4-bromo-1H-1-benzazepine is BrC1=Cc2ccccc2NC=C1.
What is the InChIKey of 4-bromo-1H-1-benzazepine?
The InChIKey is RQDDQKMKOJBQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c11-9-5-6-12-10-4-2-1-3-8(10)7-9/h1-7,12H.
What are the key properties of 4-bromo-1H-1-benzazepine?
4-bromo-1H-1-benzazepine has a molecular weight of 222.09 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-1-benzazepine is sourced from PubChem (CID 19388528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).