2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol

C10H14ClN3O4 — CID 3621694

IUPAC2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol
SMILESO=[N+]([O-])c1cc(Cl)c(NCCO)cc1NCCO
InChIInChI=1S/C10H14ClN3O4/c11-7-5-10(14(17)18)9(13-2-4-16)6-8(7)12-1-3-15/h5-6,12-13,15-16H,1-4H2
InChIKeyZEARLPPIUCBHRP-UHFFFAOYSA-N
MW275.69 g/mol
LogP1.06
Rot. Bonds7

About 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol

2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol (PubChem CID 3621694) has the molecular formula C10H14ClN3O4 and a molecular weight of 275.69 g/mol. Its IUPAC name is 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol
PubChem CID3621694
Molecular FormulaC10H14ClN3O4
Molecular Weight275.69 g/mol
Exact Mass275.07
IUPAC Name2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol
SMILESO=[N+]([O-])c1cc(Cl)c(NCCO)cc1NCCO
InChIInChI=1S/C10H14ClN3O4/c11-7-5-10(14(17)18)9(13-2-4-16)6-8(7)12-1-3-15/h5-6,12-13,15-16H,1-4H2
InChIKeyZEARLPPIUCBHRP-UHFFFAOYSA-N
XLogP1.06
TPSA107.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 Red 3
CID 3465817
HC Yellow no. 12
CID 5182864
N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamine
CID 5488740
4-Chloro-5-morpholino-2-nitroaniline
CID 3779330
1-Chloro-2,4-dimorpholino-5-nitrobenzene
CID 2797445
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
4-Chloro-2-nitro-5-(1-pyrrolidinyl)aniline
CID 3613709
Ethanol, 2-((2,4-dinitrophenyl)amino)-
CID 74757
3-((4-Chloro-2-nitrophenyl)amino)propan-1-ol
CID 603976
2-Chloro-4-nitro-5-piperazin-1-ylaniline
CID 2918662

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol?
The IUPAC name of 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol (CID 3621694) is 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol.
What is the SMILES notation for 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol?
The canonical SMILES for 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol is O=[N+]([O-])c1cc(Cl)c(NCCO)cc1NCCO.
What is the InChIKey of 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol?
The InChIKey is ZEARLPPIUCBHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4/c11-7-5-10(14(17)18)9(13-2-4-16)6-8(7)12-1-3-15/h5-6,12-13,15-16H,1-4H2.
What are the key properties of 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol?
2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol has a molecular weight of 275.69 g/mol, XLogP of 1.06, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol is sourced from PubChem (CID 3621694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).