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

C10H7N5O6 — CID 3634327

IUPAC6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(=O)[nH]1
InChIInChI=1S/C10H7N5O6/c16-6-2-1-4(15(20)21)3-5(6)13-14-7-8(17)11-10(19)12-9(7)18/h1-3,16H,(H3,11,12,17,18,19)/b14-13+
InChIKeyCSYRWZZMGWWSRR-BUHFOSPRSA-N
MW293.19 g/mol
LogP0.80
Rot. Bonds3

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

6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione (PubChem CID 3634327) has the molecular formula C10H7N5O6 and a molecular weight of 293.19 g/mol. Its IUPAC name is 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
PubChem CID3634327
Molecular FormulaC10H7N5O6
Molecular Weight293.19 g/mol
Exact Mass293.04
IUPAC Name6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(=O)[nH]1
InChIInChI=1S/C10H7N5O6/c16-6-2-1-4(15(20)21)3-5(6)13-14-7-8(17)11-10(19)12-9(7)18/h1-3,16H,(H3,11,12,17,18,19)/b14-13+
InChIKeyCSYRWZZMGWWSRR-BUHFOSPRSA-N
XLogP0.80
TPSA174.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione (CID 3634327) is 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CSYRWZZMGWWSRR-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H7N5O6/c16-6-2-1-4(15(20)21)3-5(6)13-14-7-8(17)11-10(19)12-9(7)18/h1-3,16H,(H3,11,12,17,18,19)/b14-13+.
What are the key properties of 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 293.19 g/mol, XLogP of 0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3634327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).