5,6-dichloro-1H-indol-4-amine

C8H6Cl2N2 — CID 57183209

IUPAC5,6-dichloro-1H-indol-4-amine
SMILESNc1c(Cl)c(Cl)cc2[nH]ccc12
InChIInChI=1S/C8H6Cl2N2/c9-5-3-6-4(1-2-12-6)8(11)7(5)10/h1-3,12H,11H2
InChIKeyHUJDFDLCPDTTGG-UHFFFAOYSA-N
MW201.06 g/mol
LogP3.06
Rot. Bonds

About 5,6-dichloro-1H-indol-4-amine

5,6-dichloro-1H-indol-4-amine (PubChem CID 57183209) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 5,6-dichloro-1H-indol-4-amine.

Molecular Properties

Compound Name5,6-dichloro-1H-indol-4-amine
PubChem CID57183209
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name5,6-dichloro-1H-indol-4-amine
SMILESNc1c(Cl)c(Cl)cc2[nH]ccc12
InChIInChI=1S/C8H6Cl2N2/c9-5-3-6-4(1-2-12-6)8(11)7(5)10/h1-3,12H,11H2
InChIKeyHUJDFDLCPDTTGG-UHFFFAOYSA-N
XLogP3.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Chlorotryptamine
CID 77379
5-Chloroindole
CID 87110
5-Chloro-alphamt
CID 12833
6-Chloroindole
CID 87111
7-chloro-1H-indole
CID 104644
Tepirindole
CID 68915
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 127036932
Lynamicin C
CID 11385005
1-(5-Chloro-1H-indol-3-yl)propan-2-amine--hydrogen chloride (1/1)
CID 518485
4-Chloroindole
CID 91345
5-Chloro-1H-indole-3-ethylamine monohydrochloride
CID 2827494
3-Chloro-1H-indole
CID 177790

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1H-indol-4-amine?
The IUPAC name of 5,6-dichloro-1H-indol-4-amine (CID 57183209) is 5,6-dichloro-1H-indol-4-amine.
What is the SMILES notation for 5,6-dichloro-1H-indol-4-amine?
The canonical SMILES for 5,6-dichloro-1H-indol-4-amine is Nc1c(Cl)c(Cl)cc2[nH]ccc12.
What is the InChIKey of 5,6-dichloro-1H-indol-4-amine?
The InChIKey is HUJDFDLCPDTTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-5-3-6-4(1-2-12-6)8(11)7(5)10/h1-3,12H,11H2.
What are the key properties of 5,6-dichloro-1H-indol-4-amine?
5,6-dichloro-1H-indol-4-amine has a molecular weight of 201.06 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1H-indol-4-amine is sourced from PubChem (CID 57183209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).