5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one

C12H8BrClFNO — CID 171774857

IUPAC5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one
SMILESO=C1CCc2[nH]c3c(F)c(Cl)cc(Br)c3c2C1
InChIInChI=1S/C12H8BrClFNO/c13-7-4-8(14)11(15)12-10(7)6-3-5(17)1-2-9(6)16-12/h4,16H,1-3H2
InChIKeyZMGHVSPXMFEERB-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.78
Rot. Bonds

About 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one

5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one (PubChem CID 171774857) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one.

Molecular Properties

Compound Name5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one
PubChem CID171774857
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one
SMILESO=C1CCc2[nH]c3c(F)c(Cl)cc(Br)c3c2C1
InChIInChI=1S/C12H8BrClFNO/c13-7-4-8(14)11(15)12-10(7)6-3-5(17)1-2-9(6)16-12/h4,16H,1-3H2
InChIKeyZMGHVSPXMFEERB-UHFFFAOYSA-N
XLogP3.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one 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-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 67377734
1-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 118648693
1-[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-fluoro-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 118657860
1-[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 118657865
1-[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]-2,2-difluoroethanone
CID 129127113
1-[6-bromo-2-[2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 130275038
1-[6-bromo-2-[2-(4-chlorophenyl)ethenyl]-5-fluoro-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 130276771
9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 139387850
2-benzyl-9-bromo-7-chloro-6-fluoro-3,5-dihydro-1H-pyrido[4,3-b]indol-4-one
CID 139387858
5-Bromo-7,8-dichloro-1-(2,2-difluoropropyl)-1,2,4,9-tetrahydrocarbazol-3-one
CID 171774860
10-Bromo-8-chloro-7-fluoro-3,4,5,6-tetrahydroazepino[4,5-B]indol-2(1H)-one
CID 171775062
(3-bromophenyl)-(6-chloro-1H-indol-2-yl)methanone
CID 17941263

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one?
The IUPAC name of 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one (CID 171774857) is 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one.
What is the SMILES notation for 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one?
The canonical SMILES for 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one is O=C1CCc2[nH]c3c(F)c(Cl)cc(Br)c3c2C1.
What is the InChIKey of 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one?
The InChIKey is ZMGHVSPXMFEERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-7-4-8(14)11(15)12-10(7)6-3-5(17)1-2-9(6)16-12/h4,16H,1-3H2.
What are the key properties of 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one?
5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one has a molecular weight of 316.56 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one is sourced from PubChem (CID 171774857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).