(2-hydroxy-4-nitrophenyl)cyanamide

C7H5N3O3 — CID 107857211

IUPAC(2-hydroxy-4-nitrophenyl)cyanamide
SMILESN#CNc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C7H5N3O3/c8-4-9-6-2-1-5(10(12)13)3-7(6)11/h1-3,9,11H
InChIKeyAXECDMMEMHJDOW-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.19
Rot. Bonds2

About (2-hydroxy-4-nitrophenyl)cyanamide

(2-hydroxy-4-nitrophenyl)cyanamide (PubChem CID 107857211) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is (2-hydroxy-4-nitrophenyl)cyanamide.

Molecular Properties

Compound Name(2-hydroxy-4-nitrophenyl)cyanamide
PubChem CID107857211
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name(2-hydroxy-4-nitrophenyl)cyanamide
SMILESN#CNc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C7H5N3O3/c8-4-9-6-2-1-5(10(12)13)3-7(6)11/h1-3,9,11H
InChIKeyAXECDMMEMHJDOW-UHFFFAOYSA-N
XLogP1.19
TPSA99.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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-dinitrophenyl)cyanamide
CID 12679048
N-(2-hydroxy-4-nitrophenyl)but-2-ynamide
CID 107989033
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide
CID 107743856
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7640466
(1S,4Z,8E,12R)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7298998
2,4-dihydroxy-N-(2-hydroxy-4-nitrophenyl)benzenecarbothioamide
CID 135513869
(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 7285095

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-nitrophenyl)cyanamide?
The IUPAC name of (2-hydroxy-4-nitrophenyl)cyanamide (CID 107857211) is (2-hydroxy-4-nitrophenyl)cyanamide.
What is the SMILES notation for (2-hydroxy-4-nitrophenyl)cyanamide?
The canonical SMILES for (2-hydroxy-4-nitrophenyl)cyanamide is N#CNc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of (2-hydroxy-4-nitrophenyl)cyanamide?
The InChIKey is AXECDMMEMHJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c8-4-9-6-2-1-5(10(12)13)3-7(6)11/h1-3,9,11H.
What are the key properties of (2-hydroxy-4-nitrophenyl)cyanamide?
(2-hydroxy-4-nitrophenyl)cyanamide has a molecular weight of 179.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-nitrophenyl)cyanamide is sourced from PubChem (CID 107857211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).