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

C10H7N5O5 — CID 2754543

IUPAC6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/N=N/c2ccccc2[N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C10H7N5O5/c16-8-7(9(17)12-10(18)11-8)14-13-5-3-1-2-4-6(5)15(19)20/h1-4H,(H3,11,12,16,17,18)/b14-13+
InChIKeyRRMNJNNWGYZSSX-BUHFOSPRSA-N
MW277.20 g/mol
LogP1.09
Rot. Bonds3

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

6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione (PubChem CID 2754543) has the molecular formula C10H7N5O5 and a molecular weight of 277.20 g/mol. Its IUPAC name is 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
PubChem CID2754543
Molecular FormulaC10H7N5O5
Molecular Weight277.20 g/mol
Exact Mass277.04
IUPAC Name6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/N=N/c2ccccc2[N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C10H7N5O5/c16-8-7(9(17)12-10(18)11-8)14-13-5-3-1-2-4-6(5)15(19)20/h1-4H,(H3,11,12,16,17,18)/b14-13+
InChIKeyRRMNJNNWGYZSSX-BUHFOSPRSA-N
XLogP1.09
TPSA153.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.09
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]-2-sulfanylidene-1H-pyrimidin-4-one
CID 2754545
6-hydroxy-5-[(2-nitro-4-phenylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 3945122
sodium;2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonate;trihydrate
CID 139200933
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
CID 135645807
3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-4-methylbenzoate
CID 2125591
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 4615917
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
CID 135666418

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione (CID 2754543) is 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/N=N/c2ccccc2[N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RRMNJNNWGYZSSX-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H7N5O5/c16-8-7(9(17)12-10(18)11-8)14-13-5-3-1-2-4-6(5)15(19)20/h1-4H,(H3,11,12,16,17,18)/b14-13+.
What are the key properties of 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 277.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2754543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).