3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol

C16H13N5O5 — CID 171982731

IUPAC3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol
SMILESCc1ccc(C)c2c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(O)[nH]c12
InChIInChI=1S/C16H13N5O5/c1-8-3-4-9(2)14-13(8)15(16(22)17-14)19-18-11-6-5-10(20(23)24)7-12(11)21(25)26/h3-7,17,22H,1-2H3/b19-18+
InChIKeyHVJQHNIIRXLCTO-VHEBQXMUSA-N
MW355.31 g/mol
LogP4.72
Rot. Bonds4

About 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol

3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol (PubChem CID 171982731) has the molecular formula C16H13N5O5 and a molecular weight of 355.31 g/mol. Its IUPAC name is 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol
PubChem CID171982731
Molecular FormulaC16H13N5O5
Molecular Weight355.31 g/mol
Exact Mass355.09
IUPAC Name3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol
SMILESCc1ccc(C)c2c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(O)[nH]c12
InChIInChI=1S/C16H13N5O5/c1-8-3-4-9(2)14-13(8)15(16(22)17-14)19-18-11-6-5-10(20(23)24)7-12(11)21(25)26/h3-7,17,22H,1-2H3/b19-18+
InChIKeyHVJQHNIIRXLCTO-VHEBQXMUSA-N
XLogP4.72
TPSA147.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.72
H-Bond Donors ≤ 52
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

4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol
CID 4664439
methyl 3-[(2,4-dinitrophenyl)diazenyl]butanoate
CID 91435409
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463
6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 3945122
ethyl 4-[4-[(2,4-dinitrophenyl)diazenyl]-N-ethyl-2,5-dimethylanilino]butanoate
CID 59064785
2-(2,4-dinitrophenyl)iminopropanoic acid
CID 71372052
sodium;cobalt;bis(6-hydroxy-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one)
CID 159098948
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
CID 135835239

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol?
The IUPAC name of 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol (CID 171982731) is 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol?
The canonical SMILES for 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol is Cc1ccc(C)c2c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(O)[nH]c12.
What is the InChIKey of 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol?
The InChIKey is HVJQHNIIRXLCTO-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N5O5/c1-8-3-4-9(2)14-13(8)15(16(22)17-14)19-18-11-6-5-10(20(23)24)7-12(11)21(25)26/h3-7,17,22H,1-2H3/b19-18+.
What are the key properties of 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol?
3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol has a molecular weight of 355.31 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol is sourced from PubChem (CID 171982731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).