methyl 6-hydrazinylpyridine-3-carboxylate

C7H9N3O2 — CID 55280209

IUPACmethyl 6-hydrazinylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NN)nc1
InChIInChI=1S/C7H9N3O2/c1-12-7(11)5-2-3-6(10-8)9-4-5/h2-4H,8H2,1H3,(H,9,10)
InChIKeyWLNMKEVJMIJKLQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.15
Rot. Bonds2

About methyl 6-hydrazinylpyridine-3-carboxylate

methyl 6-hydrazinylpyridine-3-carboxylate (PubChem CID 55280209) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is methyl 6-hydrazinylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydrazinylpyridine-3-carboxylate
PubChem CID55280209
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Namemethyl 6-hydrazinylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NN)nc1
InChIInChI=1S/C7H9N3O2/c1-12-7(11)5-2-3-6(10-8)9-4-5/h2-4H,8H2,1H3,(H,9,10)
InChIKeyWLNMKEVJMIJKLQ-UHFFFAOYSA-N
XLogP0.15
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.15
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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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydrazinylpyridine-3-carboxylate?
The IUPAC name of methyl 6-hydrazinylpyridine-3-carboxylate (CID 55280209) is methyl 6-hydrazinylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-hydrazinylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-hydrazinylpyridine-3-carboxylate is COC(=O)c1ccc(NN)nc1.
What is the InChIKey of methyl 6-hydrazinylpyridine-3-carboxylate?
The InChIKey is WLNMKEVJMIJKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-12-7(11)5-2-3-6(10-8)9-4-5/h2-4H,8H2,1H3,(H,9,10).
What are the key properties of methyl 6-hydrazinylpyridine-3-carboxylate?
methyl 6-hydrazinylpyridine-3-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydrazinylpyridine-3-carboxylate is sourced from PubChem (CID 55280209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).