5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one

C13H10BrCl2NO — CID 171774870

IUPAC5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one
SMILESCC1CC(=O)Cc2c1[nH]c1c(Cl)c(Cl)cc(Br)c21
InChIInChI=1S/C13H10BrCl2NO/c1-5-2-6(18)3-7-10-8(14)4-9(15)11(16)13(10)17-12(5)7/h4-5,17H,2-3H2,1H3
InChIKeyWQYRJBRZQISDSI-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.86
Rot. Bonds

About 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one

5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one (PubChem CID 171774870) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one.

Molecular Properties

Compound Name5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one
PubChem CID171774870
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one
SMILESCC1CC(=O)Cc2c1[nH]c1c(Cl)c(Cl)cc(Br)c21
InChIInChI=1S/C13H10BrCl2NO/c1-5-2-6(18)3-7-10-8(14)4-9(15)11(16)13(10)17-12(5)7/h4-5,17H,2-3H2,1H3
InChIKeyWQYRJBRZQISDSI-UHFFFAOYSA-N
XLogP4.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-7-chloro-8-fluoro-1,2,4,9-tetrahydro-3H-carbazol-3-one
CID 171774857
5-Bromo-7,8-dichloro-1-(2,2-difluoropropyl)-1,2,4,9-tetrahydrocarbazol-3-one
CID 171774860
10-bromo-7,8-dichloro-5-(2,2-difluoropropyl)-3,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-2-one
CID 171774928
10-bromo-7,8-dichloro-5-[2-(2,2,2-trifluoroethylamino)ethyl]-3,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-2-one
CID 171775034
methyl 3-(4-bromo-6,7-dichloro-1H-indol-2-yl)propanoate
CID 170427451
10-bromo-7,8-dichloro-5-methyl-3,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-2-one
CID 171774814
10-bromo-7,8-dichloro-5-[2-(dimethylamino)ethyl]-3,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-2-one
CID 171774842
10-Bromo-7,8-dichloro-6-methyl-5-(2-oxopropyl)-1,3,4,5-tetrahydroazepino[4,5-b]indol-2-one
CID 171774856
10-bromo-7,8-dichloro-1-ethyl-3,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-2-one
CID 171774863
10-Bromo-7,8-dichloro-5,5-dimethyl-1,3,4,6-tetrahydroazepino[4,5-b]indol-2-one
CID 171774872
10-bromo-7,8-dichloro-5-propyl-3,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-2-one
CID 171774913
5-Bromo-7,8-dichloro-1-ethyl-1,2,4,9-tetrahydrocarbazol-3-one
CID 171774931

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one?
The IUPAC name of 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one (CID 171774870) is 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one.
What is the SMILES notation for 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one?
The canonical SMILES for 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one is CC1CC(=O)Cc2c1[nH]c1c(Cl)c(Cl)cc(Br)c21.
What is the InChIKey of 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one?
The InChIKey is WQYRJBRZQISDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c1-5-2-6(18)3-7-10-8(14)4-9(15)11(16)13(10)17-12(5)7/h4-5,17H,2-3H2,1H3.
What are the key properties of 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one?
5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one has a molecular weight of 347.04 g/mol, XLogP of 4.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7,8-dichloro-1-methyl-1,2,4,9-tetrahydrocarbazol-3-one is sourced from PubChem (CID 171774870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).