9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C12H11BrCl2N2 — CID 170101906

IUPAC9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCn1c2c(c3c(Br)cc(Cl)c(Cl)c31)CNCC2
InChIInChI=1S/C12H11BrCl2N2/c1-17-9-2-3-16-5-6(9)10-7(13)4-8(14)11(15)12(10)17/h4,16H,2-3,5H2,1H3
InChIKeyHUALQWBSAWBIFP-UHFFFAOYSA-N
MW334.04 g/mol
LogP3.89
Rot. Bonds

About 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 170101906) has the molecular formula C12H11BrCl2N2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID170101906
Molecular FormulaC12H11BrCl2N2
Molecular Weight334.04 g/mol
Exact Mass331.95
IUPAC Name9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCn1c2c(c3c(Br)cc(Cl)c(Cl)c31)CNCC2
InChIInChI=1S/C12H11BrCl2N2/c1-17-9-2-3-16-5-6(9)10-7(13)4-8(14)11(15)12(10)17/h4,16H,2-3,5H2,1H3
InChIKeyHUALQWBSAWBIFP-UHFFFAOYSA-N
XLogP3.89
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-bromo-7-chloro-5-(difluoromethyl)-6-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 139387849
9-bromo-7-chloro-6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 139387850
9-Bromo-7-chloro-5-(difluoromethyl)-6-fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 139387851
6,7-Dichloro-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 16064377
9-bromo-6-chloro-2,3,4,5-tetrahydro-2-methyl-1H-pyrido[4,3-b]indole
CID 68283073
(1R)-9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 163227259
1-[(1R)-9-bromo-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 163227329
2-amino-1-(9-bromo-6,7-dichloro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 169147827
9-Bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole
CID 169197084
9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 169197165
4-Bromo-6,7-dichloro-1H-indole
CID 169197373
1-(9-Bromo-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methoxyethanone
CID 169747712

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 170101906) is 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is Cn1c2c(c3c(Br)cc(Cl)c(Cl)c31)CNCC2.
What is the InChIKey of 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is HUALQWBSAWBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N2/c1-17-9-2-3-16-5-6(9)10-7(13)4-8(14)11(15)12(10)17/h4,16H,2-3,5H2,1H3.
What are the key properties of 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 334.04 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 170101906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).