amino 2-hydroxy-4-nitrosobenzoate

C7H6N2O4 — CID 138486238

IUPACamino 2-hydroxy-4-nitrosobenzoate
SMILESNOC(=O)c1ccc(N=O)cc1O
InChIInChI=1S/C7H6N2O4/c8-13-7(11)5-2-1-4(9-12)3-6(5)10/h1-3,10H,8H2
InChIKeyNEMHDWPXECVGTP-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.82
Rot. Bonds2

About amino 2-hydroxy-4-nitrosobenzoate

amino 2-hydroxy-4-nitrosobenzoate (PubChem CID 138486238) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is amino 2-hydroxy-4-nitrosobenzoate.

Molecular Properties

Compound Nameamino 2-hydroxy-4-nitrosobenzoate
PubChem CID138486238
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Nameamino 2-hydroxy-4-nitrosobenzoate
SMILESNOC(=O)c1ccc(N=O)cc1O
InChIInChI=1S/C7H6N2O4/c8-13-7(11)5-2-1-4(9-12)3-6(5)10/h1-3,10H,8H2
InChIKeyNEMHDWPXECVGTP-UHFFFAOYSA-N
XLogP0.82
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino 2-hydroxy-4-methylbenzoate
CID 174368722
amino 2-hydroxybenzoate
CID 12598418
triamino benzene-1,2,4-tricarboxylate
CID 158722968
2-hydroxy-4-nitrosobenzaldehyde
CID 88927405
methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate
CID 142112506
2-bromo-4-nitrosophenol
CID 23270210
methyl 2-(methylamino)-5-nitrosobenzoate
CID 82254168
2-methyl-5-nitrosobenzamide
CID 142265489
amino 3,4-dihydroxybenzoate
CID 91429810
amino 2-acetamido-4-methylbenzoate
CID 175190459
2-aminooxycarbonyl-5-chlorobenzoic acid
CID 174257906
tetrakis(2-aminooxycarbonylbenzoate);zirconium(4+)
CID 175454491

Frequently Asked Questions

What is the IUPAC name of amino 2-hydroxy-4-nitrosobenzoate?
The IUPAC name of amino 2-hydroxy-4-nitrosobenzoate (CID 138486238) is amino 2-hydroxy-4-nitrosobenzoate.
What is the SMILES notation for amino 2-hydroxy-4-nitrosobenzoate?
The canonical SMILES for amino 2-hydroxy-4-nitrosobenzoate is NOC(=O)c1ccc(N=O)cc1O.
What is the InChIKey of amino 2-hydroxy-4-nitrosobenzoate?
The InChIKey is NEMHDWPXECVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c8-13-7(11)5-2-1-4(9-12)3-6(5)10/h1-3,10H,8H2.
What are the key properties of amino 2-hydroxy-4-nitrosobenzoate?
amino 2-hydroxy-4-nitrosobenzoate has a molecular weight of 182.14 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-hydroxy-4-nitrosobenzoate is sourced from PubChem (CID 138486238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).