3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine

C12H12Cl2N2 — CID 170427640

IUPAC3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
SMILESNC1CCCn2c1cc1ccc(Cl)c(Cl)c12
InChIInChI=1S/C12H12Cl2N2/c13-8-4-3-7-6-10-9(15)2-1-5-16(10)12(7)11(8)14/h3-4,6,9H,1-2,5,15H2
InChIKeyKJRFVFCOLHPSRD-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.74
Rot. Bonds

About 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine

3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine (PubChem CID 170427640) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine.

Molecular Properties

Compound Name3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
PubChem CID170427640
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
SMILESNC1CCCn2c1cc1ccc(Cl)c(Cl)c12
InChIInChI=1S/C12H12Cl2N2/c13-8-4-3-7-6-10-9(15)2-1-5-16(10)12(7)11(8)14/h3-4,6,9H,1-2,5,15H2
InChIKeyKJRFVFCOLHPSRD-UHFFFAOYSA-N
XLogP3.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
8-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 14595512
7-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 21868720
(R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 5745501
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
6-Chloro-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 44287208
3-((4-(3,4-dichlorobenzyl)piperazin-1-yl)methyl)-1H-indole
CID 54597747
5-Chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 21512050
1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 201180
7,8-dichloro-9-methyl-9H-pyrido(3,4-b)indole
CID 189884
4-Amino-7,8-dichloro-2-methylquinoline
CID 17039646

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The IUPAC name of 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine (CID 170427640) is 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine.
What is the SMILES notation for 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The canonical SMILES for 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine is NC1CCCn2c1cc1ccc(Cl)c(Cl)c12.
What is the InChIKey of 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The InChIKey is KJRFVFCOLHPSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c13-8-4-3-7-6-10-9(15)2-1-5-16(10)12(7)11(8)14/h3-4,6,9H,1-2,5,15H2.
What are the key properties of 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine has a molecular weight of 255.15 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine is sourced from PubChem (CID 170427640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).