3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid

C11H12N2O6S — CID 160733684

IUPAC3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
SMILESNNC(=O)c1cc2ccccc2cc1O.O=S(=O)(O)O
InChIInChI=1S/C11H10N2O2.H2O4S/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14;1-5(2,3)4/h1-6,14H,12H2,(H,13,15);(H2,1,2,3,4)
InChIKeyRURCSLUAIAQXOQ-UHFFFAOYSA-N
MW300.29 g/mol
LogP0.50
Rot. Bonds1

About 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid

3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid (PubChem CID 160733684) has the molecular formula C11H12N2O6S and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid.

Molecular Properties

Compound Name3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
PubChem CID160733684
Molecular FormulaC11H12N2O6S
Molecular Weight300.29 g/mol
Exact Mass300.04
IUPAC Name3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
SMILESNNC(=O)c1cc2ccccc2cc1O.O=S(=O)(O)O
InChIInChI=1S/C11H10N2O2.H2O4S/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14;1-5(2,3)4/h1-6,14H,12H2,(H,13,15);(H2,1,2,3,4)
InChIKeyRURCSLUAIAQXOQ-UHFFFAOYSA-N
XLogP0.50
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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3-bromonaphthalene-2-carbohydrazide
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3-hydroxynaphthalene-2-carboxamide
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sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
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2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
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CID 115325898

Frequently Asked Questions

What is the IUPAC name of 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid?
The IUPAC name of 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid (CID 160733684) is 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid.
What is the SMILES notation for 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid?
The canonical SMILES for 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid is NNC(=O)c1cc2ccccc2cc1O.O=S(=O)(O)O.
What is the InChIKey of 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid?
The InChIKey is RURCSLUAIAQXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.H2O4S/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14;1-5(2,3)4/h1-6,14H,12H2,(H,13,15);(H2,1,2,3,4).
What are the key properties of 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid?
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid has a molecular weight of 300.29 g/mol, XLogP of 0.50, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid is sourced from PubChem (CID 160733684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).