[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid

C7H9N3O4S — CID 3769

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IUPAC[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid
SMILESO=C(NNCS(=O)(=O)O)c1ccncc1
InChIInChI=1S/C7H9N3O4S/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h1-4,9H,5H2,(H,10,11)(H,12,13,14)
InChIKeyGQZQCROBCYNTMU-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.84
Rot. Bonds4

About [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid

[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid (PubChem CID 3769) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid.

Molecular Properties

Compound Name[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid
PubChem CID3769
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid
SMILESO=C(NNCS(=O)(=O)O)c1ccncc1
InChIInChI=1S/C7H9N3O4S/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h1-4,9H,5H2,(H,10,11)(H,12,13,14)
InChIKeyGQZQCROBCYNTMU-UHFFFAOYSA-N
XLogP-0.84
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Isoniazid
CID 3767
Iproniazid
CID 3748
Acetylisoniazid
CID 71602
Iproniazid Phosphate
CID 9367
Metazide
CID 15568
Crotoniazide
CID 5369886
N'-(propan-2-ylidene)isonicotinohydrazide
CID 72487
Iproniazid sulfate
CID 5702132
1,2-Diisonicotinoylhydrazine
CID 72489
N'-isonicotinoylbenzenesulfonohydrazide
CID 468603
N'-Isonicotinoylbenzohydrazide
CID 569538
Isonicotyl thiosemicarbazone
CID 3000601

Frequently Asked Questions

What is the IUPAC name of [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid?
The IUPAC name of [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid (CID 3769) is [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid.
What is the SMILES notation for [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid?
The canonical SMILES for [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid is O=C(NNCS(=O)(=O)O)c1ccncc1.
What is the InChIKey of [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid?
The InChIKey is GQZQCROBCYNTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h1-4,9H,5H2,(H,10,11)(H,12,13,14).
What are the key properties of [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid?
[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid has a molecular weight of 231.23 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid is sourced from PubChem (CID 3769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).