3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine

C9H9BrN2 — CID 126557350

IUPAC3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine
SMILESBrc1cnc2c(c1)C=NCCC2
InChIInChI=1S/C9H9BrN2/c10-8-4-7-5-11-3-1-2-9(7)12-6-8/h4-6H,1-3H2
InChIKeyYEYLVNYSJQMKNP-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.21
Rot. Bonds

About 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine

3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine (PubChem CID 126557350) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine.

Molecular Properties

Compound Name3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine
PubChem CID126557350
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine
SMILESBrc1cnc2c(c1)C=NCCC2
InChIInChI=1S/C9H9BrN2/c10-8-4-7-5-11-3-1-2-9(7)12-6-8/h4-6H,1-3H2
InChIKeyYEYLVNYSJQMKNP-UHFFFAOYSA-N
XLogP2.21
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
CID 142002146
bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
CID 154804713
10,22-dibromo-3,6-dimethyl-3,6,14,18-tetrazatricyclo[18.3.1.18,12]pentacosa-1(24),8(25),9,11,13,18,20,22-octaene-24,25-diol
CID 136881961
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CID 87129836
5,16-dibromo-1,9,12,20-tetrazatetracyclo[18.2.2.13,7.114,18]hexacosa-3(26),4,6,8,12,14,16,18(25)-octaene-25,26-diol
CID 136717154
6,20,29-tribromo-2,24,25-trioxa-10,13,16,33-tetraza-1-thallapentacyclo[11.11.11.03,8.018,23.026,31]pentatriaconta-3(8),4,6,9,16,18(23),19,21,26(31),27,29,32-dodecaene
CID 16711319
6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10157048
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine?
The IUPAC name of 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine (CID 126557350) is 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine.
What is the SMILES notation for 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine?
The canonical SMILES for 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine is Brc1cnc2c(c1)C=NCCC2.
What is the InChIKey of 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine?
The InChIKey is YEYLVNYSJQMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c10-8-4-7-5-11-3-1-2-9(7)12-6-8/h4-6H,1-3H2.
What are the key properties of 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine?
3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine has a molecular weight of 225.09 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine is sourced from PubChem (CID 126557350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).