5-hydroxy-6-nitro-1H-pyrimidin-2-one

C4H3N3O4 — CID 174442616

IUPAC5-hydroxy-6-nitro-1H-pyrimidin-2-one
SMILESO=c1ncc(O)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C4H3N3O4/c8-2-1-5-4(9)6-3(2)7(10)11/h1,8H,(H,5,6,9)
InChIKeyIKAITHUUXBWIBU-UHFFFAOYSA-N
MW157.09 g/mol
LogP-0.62
Rot. Bonds1

About 5-hydroxy-6-nitro-1H-pyrimidin-2-one

5-hydroxy-6-nitro-1H-pyrimidin-2-one (PubChem CID 174442616) has the molecular formula C4H3N3O4 and a molecular weight of 157.09 g/mol. Its IUPAC name is 5-hydroxy-6-nitro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-hydroxy-6-nitro-1H-pyrimidin-2-one
PubChem CID174442616
Molecular FormulaC4H3N3O4
Molecular Weight157.09 g/mol
Exact Mass157.01
IUPAC Name5-hydroxy-6-nitro-1H-pyrimidin-2-one
SMILESO=c1ncc(O)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C4H3N3O4/c8-2-1-5-4(9)6-3(2)7(10)11/h1,8H,(H,5,6,9)
InChIKeyIKAITHUUXBWIBU-UHFFFAOYSA-N
XLogP-0.62
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 5-hydroxy-6-nitro-1H-pyrimidin-2-one?
The IUPAC name of 5-hydroxy-6-nitro-1H-pyrimidin-2-one (CID 174442616) is 5-hydroxy-6-nitro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-hydroxy-6-nitro-1H-pyrimidin-2-one?
The canonical SMILES for 5-hydroxy-6-nitro-1H-pyrimidin-2-one is O=c1ncc(O)c([N+](=O)[O-])[nH]1.
What is the InChIKey of 5-hydroxy-6-nitro-1H-pyrimidin-2-one?
The InChIKey is IKAITHUUXBWIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O4/c8-2-1-5-4(9)6-3(2)7(10)11/h1,8H,(H,5,6,9).
What are the key properties of 5-hydroxy-6-nitro-1H-pyrimidin-2-one?
5-hydroxy-6-nitro-1H-pyrimidin-2-one has a molecular weight of 157.09 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-nitro-1H-pyrimidin-2-one is sourced from PubChem (CID 174442616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).