6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole

C13H14Cl2N2 — CID 172879197

IUPAC6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCC1(C)NCCc2[nH]c3c(Cl)c(Cl)ccc3c21
InChIInChI=1S/C13H14Cl2N2/c1-13(2)10-7-3-4-8(14)11(15)12(7)17-9(10)5-6-16-13/h3-4,16-17H,5-6H2,1-2H3
InChIKeyQDNZZMVGVCZSDA-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.86
Rot. Bonds

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

6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 172879197) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID172879197
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCC1(C)NCCc2[nH]c3c(Cl)c(Cl)ccc3c21
InChIInChI=1S/C13H14Cl2N2/c1-13(2)10-7-3-4-8(14)11(15)12(7)17-9(10)5-6-16-13/h3-4,16-17H,5-6H2,1-2H3
InChIKeyQDNZZMVGVCZSDA-UHFFFAOYSA-N
XLogP3.86
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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
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
6,7-dichloro-1H-indole
CID 12272802

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole (CID 172879197) is 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole is CC1(C)NCCc2[nH]c3c(Cl)c(Cl)ccc3c21.
What is the InChIKey of 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is QDNZZMVGVCZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-13(2)10-7-3-4-8(14)11(15)12(7)17-9(10)5-6-16-13/h3-4,16-17H,5-6H2,1-2H3.
What are the key properties of 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole?
6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 269.17 g/mol, XLogP of 3.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,1-dimethyl-2,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 172879197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).