2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole

C13H7BrClN — CID 129294431

IUPAC2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole
SMILESClC1=Cc2c([nH]c3ccc(Br)cc23)CC#C1
InChIInChI=1S/C13H7BrClN/c14-8-4-5-13-10(6-8)11-7-9(15)2-1-3-12(11)16-13/h4-7,16H,3H2
InChIKeyURBWXOMYSAELRD-UHFFFAOYSA-N
MW292.56 g/mol
LogP4.07
Rot. Bonds

About 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole

2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole (PubChem CID 129294431) has the molecular formula C13H7BrClN and a molecular weight of 292.56 g/mol. Its IUPAC name is 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole.

Molecular Properties

Compound Name2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole
PubChem CID129294431
Molecular FormulaC13H7BrClN
Molecular Weight292.56 g/mol
Exact Mass290.95
IUPAC Name2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole
SMILESClC1=Cc2c([nH]c3ccc(Br)cc23)CC#C1
InChIInChI=1S/C13H7BrClN/c14-8-4-5-13-10(6-8)11-7-9(15)2-1-3-12(11)16-13/h4-7,16H,3H2
InChIKeyURBWXOMYSAELRD-UHFFFAOYSA-N
XLogP4.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one
CID 82382896
6-bromo-3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84743392
1,6-dibromo-3-chloro-9H-carbazole
CID 171793473
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
2-bromo-5,6-dihydroindeno[2,1-b]indole
CID 134501422
6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
CID 143085891
6-bromo-2-[(4-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71676847
6-bromo-1-chloro-9H-pyrido[3,4-b]indole
CID 115051764
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole
CID 79933960
(5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole
CID 177395491
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
CID 140998240

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole?
The IUPAC name of 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole (CID 129294431) is 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole.
What is the SMILES notation for 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole?
The canonical SMILES for 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole is ClC1=Cc2c([nH]c3ccc(Br)cc23)CC#C1.
What is the InChIKey of 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole?
The InChIKey is URBWXOMYSAELRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN/c14-8-4-5-13-10(6-8)11-7-9(15)2-1-3-12(11)16-13/h4-7,16H,3H2.
What are the key properties of 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole?
2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole has a molecular weight of 292.56 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-chloro-7,8-didehydro-5,6-dihydrocyclohepta[b]indole is sourced from PubChem (CID 129294431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).