4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol

C10H7N5O3 — CID 135778858

IUPAC4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ncncc2O)cc1
InChIInChI=1S/C10H7N5O3/c16-9-5-11-6-12-10(9)14-13-7-1-3-8(4-2-7)15(17)18/h1-6,16H/b14-13+
InChIKeyRCVDYXFGVBKPFE-BUHFOSPRSA-N
MW245.20 g/mol
LogP2.51
Rot. Bonds3

About 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol

4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol (PubChem CID 135778858) has the molecular formula C10H7N5O3 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol.

Molecular Properties

Compound Name4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol
PubChem CID135778858
Molecular FormulaC10H7N5O3
Molecular Weight245.20 g/mol
Exact Mass245.05
IUPAC Name4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2ncncc2O)cc1
InChIInChI=1S/C10H7N5O3/c16-9-5-11-6-12-10(9)14-13-7-1-3-8(4-2-7)15(17)18/h1-6,16H/b14-13+
InChIKeyRCVDYXFGVBKPFE-BUHFOSPRSA-N
XLogP2.51
TPSA113.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol?
The IUPAC name of 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol (CID 135778858) is 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol.
What is the SMILES notation for 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol?
The canonical SMILES for 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol is O=[N+]([O-])c1ccc(/N=N/c2ncncc2O)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol?
The InChIKey is RCVDYXFGVBKPFE-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H7N5O3/c16-9-5-11-6-12-10(9)14-13-7-1-3-8(4-2-7)15(17)18/h1-6,16H/b14-13+.
What are the key properties of 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol?
4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol has a molecular weight of 245.20 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol is sourced from PubChem (CID 135778858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).