2-(4-hydroxy-3-nitrophenyl)ethanimidamide

C8H9N3O3 — CID 151168662

IUPAC2-(4-hydroxy-3-nitrophenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9N3O3/c9-8(10)4-5-1-2-7(12)6(3-5)11(13)14/h1-3,12H,4H2,(H3,9,10)
InChIKeyNBUNWERRGPRBEN-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.78
Rot. Bonds3

About 2-(4-hydroxy-3-nitrophenyl)ethanimidamide

2-(4-hydroxy-3-nitrophenyl)ethanimidamide (PubChem CID 151168662) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-(4-hydroxy-3-nitrophenyl)ethanimidamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-nitrophenyl)ethanimidamide
PubChem CID151168662
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-(4-hydroxy-3-nitrophenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9N3O3/c9-8(10)4-5-1-2-7(12)6(3-5)11(13)14/h1-3,12H,4H2,(H3,9,10)
InChIKeyNBUNWERRGPRBEN-UHFFFAOYSA-N
XLogP0.78
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(4-hydroxy-3-nitrophenyl)methyl carbamimidothioate
CID 3523091
4-(2-iminoethyl)-2-nitrophenol
CID 59095525
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683
2-(4-nitrophenyl)ethanimidamide;hydrochloride
CID 46318421
2-(2-nitrophenyl)ethanimidamide;hydrochloride
CID 172682235
(4-hydroxy-3-nitrophenyl)methanesulfinate
CID 54515347
4-[(2S)-2-aminopropyl]-2-nitrophenol
CID 131031140
4-(2-methyliminoethyl)-2-nitrophenol
CID 142095401
2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
CID 91756255
tert-butyl 2-(4-hydroxy-3-nitrophenyl)acetate
CID 19751054
2-(4-hydroxy-3-nitrophenyl)ethanesulfinic acid
CID 54385439
azane;2,4-dinitrophenol;hydrate
CID 174664401

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-nitrophenyl)ethanimidamide?
The IUPAC name of 2-(4-hydroxy-3-nitrophenyl)ethanimidamide (CID 151168662) is 2-(4-hydroxy-3-nitrophenyl)ethanimidamide.
What is the SMILES notation for 2-(4-hydroxy-3-nitrophenyl)ethanimidamide?
The canonical SMILES for 2-(4-hydroxy-3-nitrophenyl)ethanimidamide is [H]/N=C(\N)Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-hydroxy-3-nitrophenyl)ethanimidamide?
The InChIKey is NBUNWERRGPRBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-8(10)4-5-1-2-7(12)6(3-5)11(13)14/h1-3,12H,4H2,(H3,9,10).
What are the key properties of 2-(4-hydroxy-3-nitrophenyl)ethanimidamide?
2-(4-hydroxy-3-nitrophenyl)ethanimidamide has a molecular weight of 195.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-nitrophenyl)ethanimidamide is sourced from PubChem (CID 151168662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).