3-bromo-4,9-dihydro-3H-carbazole

C12H10BrN — CID 66807686

IUPAC3-bromo-4,9-dihydro-3H-carbazole
SMILESBrC1C=Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C12H10BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-6,8,14H,7H2
InChIKeyOBCGKCLNPMJUPJ-UHFFFAOYSA-N
MW248.12 g/mol
LogP3.50
Rot. Bonds

About 3-bromo-4,9-dihydro-3H-carbazole

3-bromo-4,9-dihydro-3H-carbazole (PubChem CID 66807686) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 3-bromo-4,9-dihydro-3H-carbazole.

Molecular Properties

Compound Name3-bromo-4,9-dihydro-3H-carbazole
PubChem CID66807686
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name3-bromo-4,9-dihydro-3H-carbazole
SMILESBrC1C=Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C12H10BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-6,8,14H,7H2
InChIKeyOBCGKCLNPMJUPJ-UHFFFAOYSA-N
XLogP3.50
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10a,11-dihydro-5H-benzo[b]carbazole
CID 137386521
2,5-dihydro-1H-pyrido[4,3-b]indole
CID 68923227
2-bromo-1,2-dihydrodibenzothiophene
CID 135176935
ethane;8-methyl-5,8-dihydrocyclohepta[b]indole
CID 142064594
3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole
CID 134301047
3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole
CID 174721399
(9R)-7,7,9-trimethyl-8,9,11b,12-tetrahydro-5H-indeno[2,1-b]carbazole
CID 71110072
3,3-dibenzyl-4,9-dihydrocarbazole
CID 174416262
9H-carbazole
CID 66668984
3,6-ditert-butyl-4,9-dihydro-3H-carbazole
CID 70986017
1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole
CID 146492364
(1R,3R)-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 670862

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,9-dihydro-3H-carbazole?
The IUPAC name of 3-bromo-4,9-dihydro-3H-carbazole (CID 66807686) is 3-bromo-4,9-dihydro-3H-carbazole.
What is the SMILES notation for 3-bromo-4,9-dihydro-3H-carbazole?
The canonical SMILES for 3-bromo-4,9-dihydro-3H-carbazole is BrC1C=Cc2[nH]c3ccccc3c2C1.
What is the InChIKey of 3-bromo-4,9-dihydro-3H-carbazole?
The InChIKey is OBCGKCLNPMJUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-6,8,14H,7H2.
What are the key properties of 3-bromo-4,9-dihydro-3H-carbazole?
3-bromo-4,9-dihydro-3H-carbazole has a molecular weight of 248.12 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,9-dihydro-3H-carbazole is sourced from PubChem (CID 66807686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).