2-(4-amino-2-chloro-5-nitroanilino)ethanol

C8H10ClN3O3 — CID 5490271

IUPAC2-(4-amino-2-chloro-5-nitroanilino)ethanol
SMILESNc1cc(Cl)c(NCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O3/c9-5-3-6(10)8(12(14)15)4-7(5)11-1-2-13/h3-4,11,13H,1-2,10H2
InChIKeyQNJWQAYYVNKOKR-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.23
Rot. Bonds4

About 2-(4-amino-2-chloro-5-nitroanilino)ethanol

2-(4-amino-2-chloro-5-nitroanilino)ethanol (PubChem CID 5490271) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(4-amino-2-chloro-5-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-2-chloro-5-nitroanilino)ethanol
PubChem CID5490271
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-(4-amino-2-chloro-5-nitroanilino)ethanol
SMILESNc1cc(Cl)c(NCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O3/c9-5-3-6(10)8(12(14)15)4-7(5)11-1-2-13/h3-4,11,13H,1-2,10H2
InChIKeyQNJWQAYYVNKOKR-UHFFFAOYSA-N
XLogP1.23
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

HC Red 3
CID 3465817
HC Yellow no. 12
CID 5182864
HC Red 7
CID 5484089
4-Chloro-5-morpholino-2-nitroaniline
CID 3779330
HC Yellow no. 10
CID 3621694
1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-
CID 9903344
HC Red 11
CID 22320962
4-Chloro-2-nitro-5-(1-pyrrolidinyl)aniline
CID 3613709
3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol
CID 603976
2-Chloro-4-nitro-5-piperazin-1-ylaniline
CID 2918662
2-((2-((2-Chloro-4-nitrophenyl)amino)ethyl)(2,4-dinitrophenyl)amino)ethanol
CID 3111396
2-Chloro-4-nitro-5-(piperidin-1-yl)aniline
CID 3100197

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chloro-5-nitroanilino)ethanol?
The IUPAC name of 2-(4-amino-2-chloro-5-nitroanilino)ethanol (CID 5490271) is 2-(4-amino-2-chloro-5-nitroanilino)ethanol.
What is the SMILES notation for 2-(4-amino-2-chloro-5-nitroanilino)ethanol?
The canonical SMILES for 2-(4-amino-2-chloro-5-nitroanilino)ethanol is Nc1cc(Cl)c(NCCO)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-amino-2-chloro-5-nitroanilino)ethanol?
The InChIKey is QNJWQAYYVNKOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c9-5-3-6(10)8(12(14)15)4-7(5)11-1-2-13/h3-4,11,13H,1-2,10H2.
What are the key properties of 2-(4-amino-2-chloro-5-nitroanilino)ethanol?
2-(4-amino-2-chloro-5-nitroanilino)ethanol has a molecular weight of 231.64 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chloro-5-nitroanilino)ethanol is sourced from PubChem (CID 5490271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).