2-hydroxy-5-methanehydrazonoylbenzoic acid

C8H8N2O3 — CID 168528918

IUPAC2-hydroxy-5-methanehydrazonoylbenzoic acid
SMILESNN=Cc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H8N2O3/c9-10-4-5-1-2-7(11)6(3-5)8(12)13/h1-4,11H,9H2,(H,12,13)
InChIKeyFYYNRKIGYLSOLP-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.38
Rot. Bonds2

About 2-hydroxy-5-methanehydrazonoylbenzoic acid

2-hydroxy-5-methanehydrazonoylbenzoic acid (PubChem CID 168528918) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-hydroxy-5-methanehydrazonoylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-methanehydrazonoylbenzoic acid
PubChem CID168528918
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-hydroxy-5-methanehydrazonoylbenzoic acid
SMILESNN=Cc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H8N2O3/c9-10-4-5-1-2-7(11)6(3-5)8(12)13/h1-4,11H,9H2,(H,12,13)
InChIKeyFYYNRKIGYLSOLP-UHFFFAOYSA-N
XLogP0.38
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[(E)-methoxyiminomethyl]benzoic acid
CID 135598743
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983
2,5-dihydroxybenzoic acid;methanol
CID 174970806
5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 1347
2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 66771929
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
CID 59595410
5-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]naphthalen-1-yl]ethenyl]-2-hydroxybenzoic acid
CID 54009413
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methanehydrazonoylbenzoic acid?
The IUPAC name of 2-hydroxy-5-methanehydrazonoylbenzoic acid (CID 168528918) is 2-hydroxy-5-methanehydrazonoylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-methanehydrazonoylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-methanehydrazonoylbenzoic acid is NN=Cc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-methanehydrazonoylbenzoic acid?
The InChIKey is FYYNRKIGYLSOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-10-4-5-1-2-7(11)6(3-5)8(12)13/h1-4,11H,9H2,(H,12,13).
What are the key properties of 2-hydroxy-5-methanehydrazonoylbenzoic acid?
2-hydroxy-5-methanehydrazonoylbenzoic acid has a molecular weight of 180.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methanehydrazonoylbenzoic acid is sourced from PubChem (CID 168528918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).