2,4-dinitrophenol;2H-tetrazole

C7H6N6O5 — CID 154637642

IUPAC2,4-dinitrophenol;2H-tetrazole
SMILESO=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.c1nn[nH]n1
InChIInChI=1S/C6H4N2O5.CH2N4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;1-2-4-5-3-1/h1-3,9H;1H,(H,2,3,4,5)
InChIKeyIQKASOXHVWSOOL-UHFFFAOYSA-N
MW254.16 g/mol
LogP0.41
Rot. Bonds2

About 2,4-dinitrophenol;2H-tetrazole

2,4-dinitrophenol;2H-tetrazole (PubChem CID 154637642) has the molecular formula C7H6N6O5 and a molecular weight of 254.16 g/mol. Its IUPAC name is 2,4-dinitrophenol;2H-tetrazole.

Molecular Properties

Compound Name2,4-dinitrophenol;2H-tetrazole
PubChem CID154637642
Molecular FormulaC7H6N6O5
Molecular Weight254.16 g/mol
Exact Mass254.04
IUPAC Name2,4-dinitrophenol;2H-tetrazole
SMILESO=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.c1nn[nH]n1
InChIInChI=1S/C6H4N2O5.CH2N4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;1-2-4-5-3-1/h1-3,9H;1H,(H,2,3,4,5)
InChIKeyIQKASOXHVWSOOL-UHFFFAOYSA-N
XLogP0.41
TPSA160.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

azane;2,4-dinitrophenol;hydrate
CID 174664401
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
butanoic acid;2,4-dinitrophenol
CID 175085952
2,4-dinitrophenol;4-methyl-1-oxidopyridin-1-ium
CID 139124088
bis[[(2-hydroxy-5-nitrophenyl)-oxoazaniumyl]oxy]lead
CID 137178721
2,4-dinitrophenol;4-methoxy-1-oxidopyridin-1-ium
CID 139064927
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-nitro-2-(1H-1,2,4-triazol-5-yl)phenol
CID 137048656
(4-hydroxy-3-nitrophenyl)arsinic acid
CID 154085716
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
2-amino-4-nitrophenol;1H-pyrazole
CID 174791393

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitrophenol;2H-tetrazole?
The IUPAC name of 2,4-dinitrophenol;2H-tetrazole (CID 154637642) is 2,4-dinitrophenol;2H-tetrazole.
What is the SMILES notation for 2,4-dinitrophenol;2H-tetrazole?
The canonical SMILES for 2,4-dinitrophenol;2H-tetrazole is O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1.c1nn[nH]n1.
What is the InChIKey of 2,4-dinitrophenol;2H-tetrazole?
The InChIKey is IQKASOXHVWSOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5.CH2N4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;1-2-4-5-3-1/h1-3,9H;1H,(H,2,3,4,5).
What are the key properties of 2,4-dinitrophenol;2H-tetrazole?
2,4-dinitrophenol;2H-tetrazole has a molecular weight of 254.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitrophenol;2H-tetrazole is sourced from PubChem (CID 154637642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).