1-hydroxy-3-(4-nitrophenyl)urea

C7H7N3O4 — CID 5222748

IUPAC1-hydroxy-3-(4-nitrophenyl)urea
SMILESO=C(NO)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O4/c11-7(9-12)8-5-1-3-6(4-2-5)10(13)14/h1-4,12H,(H2,8,9,11)
InChIKeyDXBVARSUKIUCDK-UHFFFAOYSA-N
MW197.15 g/mol
LogP1.11
Rot. Bonds2

About 1-hydroxy-3-(4-nitrophenyl)urea

1-hydroxy-3-(4-nitrophenyl)urea (PubChem CID 5222748) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 1-hydroxy-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-hydroxy-3-(4-nitrophenyl)urea
PubChem CID5222748
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name1-hydroxy-3-(4-nitrophenyl)urea
SMILESO=C(NO)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O4/c11-7(9-12)8-5-1-3-6(4-2-5)10(13)14/h1-4,12H,(H2,8,9,11)
InChIKeyDXBVARSUKIUCDK-UHFFFAOYSA-N
XLogP1.11
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 1-hydroxy-3-(4-nitrophenyl)urea?
The IUPAC name of 1-hydroxy-3-(4-nitrophenyl)urea (CID 5222748) is 1-hydroxy-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-hydroxy-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-hydroxy-3-(4-nitrophenyl)urea is O=C(NO)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-hydroxy-3-(4-nitrophenyl)urea?
The InChIKey is DXBVARSUKIUCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-7(9-12)8-5-1-3-6(4-2-5)10(13)14/h1-4,12H,(H2,8,9,11).
What are the key properties of 1-hydroxy-3-(4-nitrophenyl)urea?
1-hydroxy-3-(4-nitrophenyl)urea has a molecular weight of 197.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(4-nitrophenyl)urea is sourced from PubChem (CID 5222748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).