2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol

C14H13N5O5 — CID 2859290

IUPAC2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol
SMILESO=[N+]([O-])c1cccc(/N=N/N(CCO)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H13N5O5/c20-8-7-17(12-4-2-6-14(10-12)19(23)24)16-15-11-3-1-5-13(9-11)18(21)22/h1-6,9-10,20H,7-8H2/b16-15+
InChIKeyZVOPJDWEKZVJSF-FOCLMDBBSA-N
MW331.29 g/mol
LogP3.00
Rot. Bonds7

About 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol

2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol (PubChem CID 2859290) has the molecular formula C14H13N5O5 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol.

Molecular Properties

Compound Name2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol
PubChem CID2859290
Molecular FormulaC14H13N5O5
Molecular Weight331.29 g/mol
Exact Mass331.09
IUPAC Name2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol
SMILESO=[N+]([O-])c1cccc(/N=N/N(CCO)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H13N5O5/c20-8-7-17(12-4-2-6-14(10-12)19(23)24)16-15-11-3-1-5-13(9-11)18(21)22/h1-6,9-10,20H,7-8H2/b16-15+
InChIKeyZVOPJDWEKZVJSF-FOCLMDBBSA-N
XLogP3.00
TPSA134.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

N-methyl-3-nitro-N-[(3-nitrophenyl)diazenyl]aniline
CID 4008195
bis(3-nitrophenyl)diazene
CID 10858607
N,N-dichloro-3-nitroaniline
CID 119097534
3-[(3-nitrophenyl)diazenyl]aniline
CID 54370732
2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol
CID 23180222
2-(3-nitrophenyl)guanidine
CID 15667866
2-[(3-nitrophenyl)methyl-propylamino]ethanol
CID 30981311
N-chloro-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 88612890
2-[2-hydroxyethyl(methyl)amino]-2-(3-nitrophenyl)acetic acid
CID 84747838
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
CID 157363920
CID 157363920

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol?
The IUPAC name of 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol (CID 2859290) is 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol.
What is the SMILES notation for 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol?
The canonical SMILES for 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol is O=[N+]([O-])c1cccc(/N=N/N(CCO)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol?
The InChIKey is ZVOPJDWEKZVJSF-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H13N5O5/c20-8-7-17(12-4-2-6-14(10-12)19(23)24)16-15-11-3-1-5-13(9-11)18(21)22/h1-6,9-10,20H,7-8H2/b16-15+.
What are the key properties of 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol?
2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol has a molecular weight of 331.29 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-N-[(3-nitrophenyl)diazenyl]anilino)ethanol is sourced from PubChem (CID 2859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).