methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate

C7H8BrN3O2 — CID 58208024

IUPACmethyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NN)c(Br)c1
InChIInChI=1S/C7H8BrN3O2/c1-13-7(12)4-2-5(8)6(11-9)10-3-4/h2-3H,9H2,1H3,(H,10,11)
InChIKeyJDZOJLZTESYIRC-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.92
Rot. Bonds2

About methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate

methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate (PubChem CID 58208024) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
PubChem CID58208024
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Namemethyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NN)c(Br)c1
InChIInChI=1S/C7H8BrN3O2/c1-13-7(12)4-2-5(8)6(11-9)10-3-4/h2-3H,9H2,1H3,(H,10,11)
InChIKeyJDZOJLZTESYIRC-UHFFFAOYSA-N
XLogP0.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.92
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

methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
CID 68754647
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
methyl 5-bromo-6-(ethoxycarbonylcarbamothioylamino)pyridine-3-carboxylate
CID 138491332
methyl 6-acetamido-5-aminopyridine-3-carboxylate
CID 71100128
dimethyl 2,6-dibromobenzene-1,4-dicarboxylate
CID 23245049
methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate
CID 117275214
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 5-bromoquinazoline-7-carboxylate
CID 171373776
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634
methyl 5-cyano-6-iodopyridine-3-carboxylate
CID 164905377
methyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71433321

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate (CID 58208024) is methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate is COC(=O)c1cnc(NN)c(Br)c1.
What is the InChIKey of methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate?
The InChIKey is JDZOJLZTESYIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c1-13-7(12)4-2-5(8)6(11-9)10-3-4/h2-3H,9H2,1H3,(H,10,11).
What are the key properties of methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate?
methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate has a molecular weight of 246.06 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate is sourced from PubChem (CID 58208024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).