2-(2-hydroxy-4-nitrophenyl)guanidine

C7H8N4O3 — CID 174617982

IUPAC2-(2-hydroxy-4-nitrophenyl)guanidine
SMILESNC(N)=Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C7H8N4O3/c8-7(9)10-5-2-1-4(11(13)14)3-6(5)12/h1-3,12H,(H4,8,9,10)
InChIKeyQXUJGLHMABTAFT-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.21
Rot. Bonds2

About 2-(2-hydroxy-4-nitrophenyl)guanidine

2-(2-hydroxy-4-nitrophenyl)guanidine (PubChem CID 174617982) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(2-hydroxy-4-nitrophenyl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxy-4-nitrophenyl)guanidine
PubChem CID174617982
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-(2-hydroxy-4-nitrophenyl)guanidine
SMILESNC(N)=Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C7H8N4O3/c8-7(9)10-5-2-1-4(11(13)14)3-6(5)12/h1-3,12H,(H4,8,9,10)
InChIKeyQXUJGLHMABTAFT-UHFFFAOYSA-N
XLogP0.21
TPSA127.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(2-hydroxy-4-nitrophenyl)iminopentan-2-ylideneamino]-5-nitrophenol
CID 101422074
2-(2-methyl-5-nitrophenyl)guanidine
CID 11528992
2-[4-nitro-2-(trifluoromethyl)phenyl]guanidine
CID 57142746
ethane;2-(2-methyl-5-nitrophenyl)guanidine
CID 166467852
2-(3-nitrophenyl)guanidine
CID 15667866
2-(methylideneamino)-4-nitrophenol
CID 153394573
cyclohexene;4-nitrobenzene-1,2-diol
CID 174564201
bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418
N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide
CID 169365087
2-bromo-5-nitrophenol;ethane
CID 177010307
2-ethyl-5-nitrophenol
CID 18980077
(2-hydroxy-4-nitrophenyl)cyanamide
CID 107857211

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-nitrophenyl)guanidine?
The IUPAC name of 2-(2-hydroxy-4-nitrophenyl)guanidine (CID 174617982) is 2-(2-hydroxy-4-nitrophenyl)guanidine.
What is the SMILES notation for 2-(2-hydroxy-4-nitrophenyl)guanidine?
The canonical SMILES for 2-(2-hydroxy-4-nitrophenyl)guanidine is NC(N)=Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-(2-hydroxy-4-nitrophenyl)guanidine?
The InChIKey is QXUJGLHMABTAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c8-7(9)10-5-2-1-4(11(13)14)3-6(5)12/h1-3,12H,(H4,8,9,10).
What are the key properties of 2-(2-hydroxy-4-nitrophenyl)guanidine?
2-(2-hydroxy-4-nitrophenyl)guanidine has a molecular weight of 196.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-nitrophenyl)guanidine is sourced from PubChem (CID 174617982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).