2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C11H9N5O4 — CID 135470759

IUPAC2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1
InChIInChI=1S/C11H9N5O4/c17-9-2-1-8(16(19)20)5-7(9)6-13-15-11-12-4-3-10(18)14-11/h1-6,17H,(H2,12,14,15,18)/b13-6+
InChIKeyHCMPJWABIFZUIO-AWNIVKPZSA-N
MW275.22 g/mol
LogP0.83
Rot. Bonds4

About 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135470759) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135470759
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Name2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1
InChIInChI=1S/C11H9N5O4/c17-9-2-1-8(16(19)20)5-7(9)6-13-15-11-12-4-3-10(18)14-11/h1-6,17H,(H2,12,14,15,18)/b13-6+
InChIKeyHCMPJWABIFZUIO-AWNIVKPZSA-N
XLogP0.83
TPSA133.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135470759) is 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is O=c1ccnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is HCMPJWABIFZUIO-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H9N5O4/c17-9-2-1-8(16(19)20)5-7(9)6-13-15-11-12-4-3-10(18)14-11/h1-6,17H,(H2,12,14,15,18)/b13-6+.
What are the key properties of 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 275.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135470759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).