2-(3-amino-5-chloro-2-nitroanilino)ethanol

C8H10ClN3O3 — CID 19851165

IUPAC2-(3-amino-5-chloro-2-nitroanilino)ethanol
SMILESNc1cc(Cl)cc(NCCO)c1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O3/c9-5-3-6(10)8(12(14)15)7(4-5)11-1-2-13/h3-4,11,13H,1-2,10H2
InChIKeySRZJNCGXIXLYNI-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.23
Rot. Bonds4

About 2-(3-amino-5-chloro-2-nitroanilino)ethanol

2-(3-amino-5-chloro-2-nitroanilino)ethanol (PubChem CID 19851165) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(3-amino-5-chloro-2-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-5-chloro-2-nitroanilino)ethanol
PubChem CID19851165
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-(3-amino-5-chloro-2-nitroanilino)ethanol
SMILESNc1cc(Cl)cc(NCCO)c1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O3/c9-5-3-6(10)8(12(14)15)7(4-5)11-1-2-13/h3-4,11,13H,1-2,10H2
InChIKeySRZJNCGXIXLYNI-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

5-[5-chloro-3-(hexylamino)-2-nitroanilino]pentan-1-ol
CID 159653172
2-[3-(2-hydroxyethylamino)-2-nitroanilino]ethanol;2-nitrobenzene-1,3-diamine
CID 21278587
3-(2-hydroxyethylamino)-2-nitrophenol
CID 18984055
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
2-[2-amino-3-(2-hydroxyethyl)-5-(2-hydroxyethylamino)-4-nitrophenyl]-2-[1-[2-amino-3-(2-hydroxyethyl)-5-(2-hydroxyethylamino)-4-nitrophenyl]-2-hydroxyethyl]sulfanyloxysulfanylethanol
CID 88632185
6-(3,5-difluoro-2-nitroanilino)hexan-1-ol
CID 107848694
2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol;hydrochloride
CID 172885968
N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 9104529
1-(3-amino-6-chloro-2-nitrophenyl)-2-chloroethanone
CID 171022400
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
5-chloro-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 113315986
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-chloro-2-nitroanilino)ethanol?
The IUPAC name of 2-(3-amino-5-chloro-2-nitroanilino)ethanol (CID 19851165) is 2-(3-amino-5-chloro-2-nitroanilino)ethanol.
What is the SMILES notation for 2-(3-amino-5-chloro-2-nitroanilino)ethanol?
The canonical SMILES for 2-(3-amino-5-chloro-2-nitroanilino)ethanol is Nc1cc(Cl)cc(NCCO)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-amino-5-chloro-2-nitroanilino)ethanol?
The InChIKey is SRZJNCGXIXLYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c9-5-3-6(10)8(12(14)15)7(4-5)11-1-2-13/h3-4,11,13H,1-2,10H2.
What are the key properties of 2-(3-amino-5-chloro-2-nitroanilino)ethanol?
2-(3-amino-5-chloro-2-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-(3-amino-5-chloro-2-nitroanilino)ethanol is sourced from PubChem (CID 19851165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).