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

C8H9ClN2O3 — CID 5182864

IUPAC2-(4-chloro-2-nitroanilino)ethanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCCO
InChIInChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2
InChIKeyLGGKGPQFSCBUOR-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.65
Rot. Bonds4

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

2-(4-chloro-2-nitroanilino)ethanol (PubChem CID 5182864) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(4-chloro-2-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-nitroanilino)ethanol
PubChem CID5182864
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-(4-chloro-2-nitroanilino)ethanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCCO
InChIInChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2
InChIKeyLGGKGPQFSCBUOR-UHFFFAOYSA-N
XLogP1.65
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

HC Yellow No. 2
CID 78637
1-(4-Chloro-2-nitrophenyl)pyrrolidine
CID 285321
4-(5-Chloro-2-nitrophenyl)morpholine
CID 2829611
4-chloro-2-nitro-N-phenylaniline
CID 85511
4-(4-Chloro-2-nitrophenyl)morpholine
CID 522191
1-(5-Chloro-2-nitrophenyl)piperidine
CID 3096079
Benzenamine, 4-chloro-N-ethyl-2-nitro-
CID 97006
5-Chloro-2-nitrodiphenylamine
CID 117635
HC Yellow no. 10
CID 3621694
2-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanol
CID 5490271
1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-
CID 9903344
HC Red 11
CID 22320962

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitroanilino)ethanol?
The IUPAC name of 2-(4-chloro-2-nitroanilino)ethanol (CID 5182864) is 2-(4-chloro-2-nitroanilino)ethanol.
What is the SMILES notation for 2-(4-chloro-2-nitroanilino)ethanol?
The canonical SMILES for 2-(4-chloro-2-nitroanilino)ethanol is O=[N+]([O-])c1cc(Cl)ccc1NCCO.
What is the InChIKey of 2-(4-chloro-2-nitroanilino)ethanol?
The InChIKey is LGGKGPQFSCBUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2.
What are the key properties of 2-(4-chloro-2-nitroanilino)ethanol?
2-(4-chloro-2-nitroanilino)ethanol has a molecular weight of 216.62 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitroanilino)ethanol is sourced from PubChem (CID 5182864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).