2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol

C15H14Cl2N4O3 — CID 22598

IUPAC2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N4O3/c1-20(6-7-22)11-4-2-10(3-5-11)18-19-15-13(16)8-12(21(23)24)9-14(15)17/h2-5,8-9,22H,6-7H2,1H3/b19-18+
InChIKeyMPIGKGDPQRWZLU-VHEBQXMUSA-N
MW369.21 g/mol
LogP4.75
Rot. Bonds6

About 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol

2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol (PubChem CID 22598) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol
PubChem CID22598
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N4O3/c1-20(6-7-22)11-4-2-10(3-5-11)18-19-15-13(16)8-12(21(23)24)9-14(15)17/h2-5,8-9,22H,6-7H2,1H3/b19-18+
InChIKeyMPIGKGDPQRWZLU-VHEBQXMUSA-N
XLogP4.75
TPSA91.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

Disperse red 1
CID 17886
Disperse Brown 1
CID 31878
Disperse Orange 37
CID 83322
Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-
CID 78916
Basic Red 18 ion
CID 26457
Propanenitrile, 3,3'-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis-
CID 77677
Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-
CID 80118
Propanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-
CID 162026
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
Disperse Red 13
CID 18516
Propanenitrile, 3,3'-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]imino]bis-
CID 106138
2,2'-((4-((2-Chloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bisethanol
CID 19590

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol (CID 22598) is 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol is CN(CCO)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol?
The InChIKey is MPIGKGDPQRWZLU-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c1-20(6-7-22)11-4-2-10(3-5-11)18-19-15-13(16)8-12(21(23)24)9-14(15)17/h2-5,8-9,22H,6-7H2,1H3/b19-18+.
What are the key properties of 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol?
2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol has a molecular weight of 369.21 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol is sourced from PubChem (CID 22598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).