2-(2-chloro-6-nitroanilino)ethylazanium

C8H11ClN3O2+ — CID 7111827

IUPAC2-(2-chloro-6-nitroanilino)ethylazanium
SMILES[NH3+]CCNc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O2/c9-6-2-1-3-7(12(13)14)8(6)11-5-4-10/h1-3,11H,4-5,10H2/p+1
InChIKeyJDPWZYUSWMRIBG-UHFFFAOYSA-O
MW216.65 g/mol
LogP0.90
Rot. Bonds4

About 2-(2-chloro-6-nitroanilino)ethylazanium

2-(2-chloro-6-nitroanilino)ethylazanium (PubChem CID 7111827) has the molecular formula C8H11ClN3O2+ and a molecular weight of 216.65 g/mol. Its IUPAC name is 2-(2-chloro-6-nitroanilino)ethylazanium.

Molecular Properties

Compound Name2-(2-chloro-6-nitroanilino)ethylazanium
PubChem CID7111827
Molecular FormulaC8H11ClN3O2+
Molecular Weight216.65 g/mol
Exact Mass216.05
IUPAC Name2-(2-chloro-6-nitroanilino)ethylazanium
SMILES[NH3+]CCNc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O2/c9-6-2-1-3-7(12(13)14)8(6)11-5-4-10/h1-3,11H,4-5,10H2/p+1
InChIKeyJDPWZYUSWMRIBG-UHFFFAOYSA-O
XLogP0.90
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-methylbutyl)-6-nitroaniline
CID 62086211
5-(2-chloro-6-nitroanilino)pentan-1-ol
CID 107318138
2-chloro-6-nitro-N-octylaniline
CID 115569026
N-[2-(2-chloro-6-nitroanilino)ethyl]methanesulfonamide
CID 62085852
2-chloro-N-(3-methoxypropyl)-6-nitroaniline
CID 62084770
N-(2-chloro-6-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62084069
6-(2-chloro-6-nitroanilino)hexanoic acid
CID 17174843
1-(2-chloro-6-nitroanilino)propan-2-ol
CID 62085143
1-N-(2-chloro-6-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 55032974
2-chloro-N-(2-imidazol-1-ylethyl)-6-nitroaniline
CID 62084776
N-(2-chloro-6-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62085327
4-(2-chloro-6-nitroanilino)-1-methoxybutan-2-ol
CID 106245890

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-nitroanilino)ethylazanium?
The IUPAC name of 2-(2-chloro-6-nitroanilino)ethylazanium (CID 7111827) is 2-(2-chloro-6-nitroanilino)ethylazanium.
What is the SMILES notation for 2-(2-chloro-6-nitroanilino)ethylazanium?
The canonical SMILES for 2-(2-chloro-6-nitroanilino)ethylazanium is [NH3+]CCNc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chloro-6-nitroanilino)ethylazanium?
The InChIKey is JDPWZYUSWMRIBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10ClN3O2/c9-6-2-1-3-7(12(13)14)8(6)11-5-4-10/h1-3,11H,4-5,10H2/p+1.
What are the key properties of 2-(2-chloro-6-nitroanilino)ethylazanium?
2-(2-chloro-6-nitroanilino)ethylazanium has a molecular weight of 216.65 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-nitroanilino)ethylazanium is sourced from PubChem (CID 7111827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).