methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid

C16H21N3O5S — CID 173081119

IUPACmethyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid
SMILESCOC(=O)c1cccnc1NN.Cc1cc(C)c(S(=O)(=O)O)c(C)c1
InChIInChI=1S/C9H12O3S.C7H9N3O2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-12-7(11)5-3-2-4-9-6(5)10-8/h4-5H,1-3H3,(H,10,11,12);2-4H,8H2,1H3,(H,9,10)
InChIKeyIFZWXCHQWYSSQO-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid

methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid (PubChem CID 173081119) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid.

Molecular Properties

Compound Namemethyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid
PubChem CID173081119
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Namemethyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid
SMILESCOC(=O)c1cccnc1NN.Cc1cc(C)c(S(=O)(=O)O)c(C)c1
InChIInChI=1S/C9H12O3S.C7H9N3O2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-12-7(11)5-3-2-4-9-6(5)10-8/h4-5H,1-3H3,(H,10,11,12);2-4H,8H2,1H3,(H,9,10)
InChIKeyIFZWXCHQWYSSQO-UHFFFAOYSA-N
XLogP2.01
TPSA131.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydrate
CID 172770358
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684
potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride
CID 173123747
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79107091
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid?
The IUPAC name of methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid (CID 173081119) is methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid.
What is the SMILES notation for methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid?
The canonical SMILES for methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid is COC(=O)c1cccnc1NN.Cc1cc(C)c(S(=O)(=O)O)c(C)c1.
What is the InChIKey of methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid?
The InChIKey is IFZWXCHQWYSSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S.C7H9N3O2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-12-7(11)5-3-2-4-9-6(5)10-8/h4-5H,1-3H3,(H,10,11,12);2-4H,8H2,1H3,(H,9,10).
What are the key properties of methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid?
methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid has a molecular weight of 367.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydrazinylpyridine-3-carboxylate;2,4,6-trimethylbenzenesulfonic acid is sourced from PubChem (CID 173081119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).