(2-hydroxy-5-nitrophenyl)urea

C7H7N3O4 — CID 57211632

IUPAC(2-hydroxy-5-nitrophenyl)urea
SMILESNC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H7N3O4/c8-7(12)9-5-3-4(10(13)14)1-2-6(5)11/h1-3,11H,(H3,8,9,12)
InChIKeyFJUDCPRGYLWRFB-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.79
Rot. Bonds2

About (2-hydroxy-5-nitrophenyl)urea

(2-hydroxy-5-nitrophenyl)urea (PubChem CID 57211632) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is (2-hydroxy-5-nitrophenyl)urea.

Molecular Properties

Compound Name(2-hydroxy-5-nitrophenyl)urea
PubChem CID57211632
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name(2-hydroxy-5-nitrophenyl)urea
SMILESNC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H7N3O4/c8-7(12)9-5-3-4(10(13)14)1-2-6(5)11/h1-3,11H,(H3,8,9,12)
InChIKeyFJUDCPRGYLWRFB-UHFFFAOYSA-N
XLogP0.79
TPSA118.49 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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

2,4-Dinitrophenol
CID 1493
2-Amino-4-Nitrophenol
CID 3613389
Picramic Acid
CID 4921319
4-Amino-2-Nitrophenol
CID 3417419
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
CID 3618472
N-(4-Hydroxy-3-nitrophenyl)acetamide
CID 3322389
2-Bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-Hydroxyethyl picramic acid
CID 5463814
1-(2-Hydroxy-3-nitro-phenyl)-3-phenyl-urea
CID 11414633
Acetamide, N-(2-hydroxy-5-nitrophenyl)-
CID 3292867
Carbanilide, 2-hydroxy-5-nitrothio-
CID 3116400
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]cyclopropanecarboxamide
CID 3875514

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-nitrophenyl)urea?
The IUPAC name of (2-hydroxy-5-nitrophenyl)urea (CID 57211632) is (2-hydroxy-5-nitrophenyl)urea.
What is the SMILES notation for (2-hydroxy-5-nitrophenyl)urea?
The canonical SMILES for (2-hydroxy-5-nitrophenyl)urea is NC(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of (2-hydroxy-5-nitrophenyl)urea?
The InChIKey is FJUDCPRGYLWRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c8-7(12)9-5-3-4(10(13)14)1-2-6(5)11/h1-3,11H,(H3,8,9,12).
What are the key properties of (2-hydroxy-5-nitrophenyl)urea?
(2-hydroxy-5-nitrophenyl)urea has a molecular weight of 197.15 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-nitrophenyl)urea is sourced from PubChem (CID 57211632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).