6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine

C14H13BrN2 — CID 67338382

IUPAC6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine
SMILESBrCC1Nc2ncccc2Cc2ccccc21
InChIInChI=1S/C14H13BrN2/c15-9-13-12-6-2-1-4-10(12)8-11-5-3-7-16-14(11)17-13/h1-7,13H,8-9H2,(H,16,17)
InChIKeyZZCQKVVLDWTDMP-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.53
Rot. Bonds1

About 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine

6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine (PubChem CID 67338382) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine.

Molecular Properties

Compound Name6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine
PubChem CID67338382
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC Name6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine
SMILESBrCC1Nc2ncccc2Cc2ccccc21
InChIInChI=1S/C14H13BrN2/c15-9-13-12-6-2-1-4-10(12)8-11-5-3-7-16-14(11)17-13/h1-7,13H,8-9H2,(H,16,17)
InChIKeyZZCQKVVLDWTDMP-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine?
The IUPAC name of 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine (CID 67338382) is 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine.
What is the SMILES notation for 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine?
The canonical SMILES for 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine is BrCC1Nc2ncccc2Cc2ccccc21.
What is the InChIKey of 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine?
The InChIKey is ZZCQKVVLDWTDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2/c15-9-13-12-6-2-1-4-10(12)8-11-5-3-7-16-14(11)17-13/h1-7,13H,8-9H2,(H,16,17).
What are the key properties of 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine?
6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine has a molecular weight of 289.18 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine is sourced from PubChem (CID 67338382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).