6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C12H12Cl2N2 — CID 163227307

IUPAC6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2[nH]c3c(Cl)c(Cl)ccc3c2CN1
InChIInChI=1S/C12H12Cl2N2/c1-6-4-10-8(5-15-6)7-2-3-9(13)11(14)12(7)16-10/h2-3,6,15-16H,4-5H2,1H3
InChIKeyLCJKCFKBQUTZTE-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.51
Rot. Bonds

About 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 163227307) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID163227307
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2[nH]c3c(Cl)c(Cl)ccc3c2CN1
InChIInChI=1S/C12H12Cl2N2/c1-6-4-10-8(5-15-6)7-2-3-9(13)11(14)12(7)16-10/h2-3,6,15-16H,4-5H2,1H3
InChIKeyLCJKCFKBQUTZTE-UHFFFAOYSA-N
XLogP3.51
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-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

5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
(s)-1-(6,7-Dichloro-1-methyl-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one
CID 170666990
6-Chloro-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
CID 19807233
6-Chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
CID 24761095
8-Chloro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole
CID 904970
8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indole
CID 19615
3-((4-(3,4-dichlorobenzyl)piperazin-1-yl)methyl)-1H-indole
CID 54597747
7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
CID 10640055
1H-Indole-3-ethanamine, 7-chloro-
CID 145709
1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 201180
2-(7-Chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 601380
1H-Indole, 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, hydrochloride (1:1)
CID 56972198

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 163227307) is 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is CC1Cc2[nH]c3c(Cl)c(Cl)ccc3c2CN1.
What is the InChIKey of 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is LCJKCFKBQUTZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-6-4-10-8(5-15-6)7-2-3-9(13)11(14)12(7)16-10/h2-3,6,15-16H,4-5H2,1H3.
What are the key properties of 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 255.15 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 163227307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).