ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride

C8H12ClN3O2 — CID 146675652

IUPACethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cccnc1NN.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-2-13-8(12)6-4-3-5-10-7(6)11-9;/h3-5H,2,9H2,1H3,(H,10,11);1H
InChIKeyVNQGBDWZAZTNPC-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.97
Rot. Bonds3

About ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride

ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride (PubChem CID 146675652) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
PubChem CID146675652
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Nameethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cccnc1NN.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-2-13-8(12)6-4-3-5-10-7(6)11-9;/h3-5H,2,9H2,1H3,(H,10,11);1H
InChIKeyVNQGBDWZAZTNPC-UHFFFAOYSA-N
XLogP0.97
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
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CID 107849492
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
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ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride (CID 146675652) is ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride is CCOC(=O)c1cccnc1NN.Cl.
What is the InChIKey of ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride?
The InChIKey is VNQGBDWZAZTNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-2-13-8(12)6-4-3-5-10-7(6)11-9;/h3-5H,2,9H2,1H3,(H,10,11);1H.
What are the key properties of ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride?
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146675652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).