6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione

C16H11N5O5 — CID 3945122

IUPAC6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/N=N/c2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C16H11N5O5/c22-14-13(15(23)18-16(24)17-14)20-19-11-7-6-10(8-12(11)21(25)26)9-4-2-1-3-5-9/h1-8H,(H3,17,18,22,23,24)/b20-19+
InChIKeyLBZOFHRZWLKMOE-FMQUCBEESA-N
MW353.29 g/mol
LogP2.76
Rot. Bonds4

About 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione (PubChem CID 3945122) has the molecular formula C16H11N5O5 and a molecular weight of 353.29 g/mol. Its IUPAC name is 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
PubChem CID3945122
Molecular FormulaC16H11N5O5
Molecular Weight353.29 g/mol
Exact Mass353.08
IUPAC Name6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/N=N/c2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C16H11N5O5/c22-14-13(15(23)18-16(24)17-14)20-19-11-7-6-10(8-12(11)21(25)26)9-4-2-1-3-5-9/h1-8H,(H3,17,18,22,23,24)/b20-19+
InChIKeyLBZOFHRZWLKMOE-FMQUCBEESA-N
XLogP2.76
TPSA153.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 52.76
H-Bond Donors ≤ 53
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

6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 2754543
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 2754545
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
sodium;2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonate;trihydrate
CID 139200933
2-nitro-4-phenylphenol
CID 13447
3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 3559649
5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 4615917
ethane;2-nitro-4-phenylphenol
CID 142062484
sodium;cobalt;bis(6-hydroxy-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one)
CID 159098948
3-[(2,4-dinitrophenyl)diazenyl]-4,7-dimethyl-1H-indol-2-ol
CID 171982731
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
ethyl (Z)-3-hydroxy-2-[(2-nitro-4-phenylphenyl)diazenyl]but-2-enoate
CID 135417170

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione (CID 3945122) is 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/N=N/c2ccc(-c3ccccc3)cc2[N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LBZOFHRZWLKMOE-FMQUCBEESA-N. The full InChI is InChI=1S/C16H11N5O5/c22-14-13(15(23)18-16(24)17-14)20-19-11-7-6-10(8-12(11)21(25)26)9-4-2-1-3-5-9/h1-8H,(H3,17,18,22,23,24)/b20-19+.
What are the key properties of 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 353.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3945122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).