2-(4,5-dichloro-1H-indol-3-yl)ethylazanium

C10H11Cl2N2+ — CID 23271495

IUPAC2-(4,5-dichloro-1H-indol-3-yl)ethylazanium
SMILES[NH3+]CCc1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C10H10Cl2N2/c11-7-1-2-8-9(10(7)12)6(3-4-13)5-14-8/h1-2,5,14H,3-4,13H2/p+1
InChIKeyYYKUFHIQOQZLDQ-UHFFFAOYSA-O
MW230.12 g/mol
LogP2.26
Rot. Bonds2

About 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium

2-(4,5-dichloro-1H-indol-3-yl)ethylazanium (PubChem CID 23271495) has the molecular formula C10H11Cl2N2+ and a molecular weight of 230.12 g/mol. Its IUPAC name is 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium.

Molecular Properties

Compound Name2-(4,5-dichloro-1H-indol-3-yl)ethylazanium
PubChem CID23271495
Molecular FormulaC10H11Cl2N2+
Molecular Weight230.12 g/mol
Exact Mass229.03
IUPAC Name2-(4,5-dichloro-1H-indol-3-yl)ethylazanium
SMILES[NH3+]CCc1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C10H10Cl2N2/c11-7-1-2-8-9(10(7)12)6(3-4-13)5-14-8/h1-2,5,14H,3-4,13H2/p+1
InChIKeyYYKUFHIQOQZLDQ-UHFFFAOYSA-O
XLogP2.26
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4,5-dichloro-1H-indol-3-yl)acetonitrile
CID 84789914
1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
CID 82622105
2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium
CID 23267204
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine
CID 54288781
2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine
CID 23373069
4,5-dichloro-1H-indole-3-sulfonyl chloride
CID 82374073
18-(5-bromo-4-chloro-1H-indol-3-yl)octadecanoic acid
CID 150939614
2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
CID 118833328
2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 23373084
2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
CID 174764483
2-(4,6-dichloro-1H-indol-3-yl)ethanol
CID 21099158

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium?
The IUPAC name of 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium (CID 23271495) is 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium.
What is the SMILES notation for 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium?
The canonical SMILES for 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium is [NH3+]CCc1c[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium?
The InChIKey is YYKUFHIQOQZLDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10Cl2N2/c11-7-1-2-8-9(10(7)12)6(3-4-13)5-14-8/h1-2,5,14H,3-4,13H2/p+1.
What are the key properties of 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium?
2-(4,5-dichloro-1H-indol-3-yl)ethylazanium has a molecular weight of 230.12 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-1H-indol-3-yl)ethylazanium is sourced from PubChem (CID 23271495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).