5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole

C16H16Br2N6O2 — CID 161477965

IUPAC5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1cc(C(=O)NN)ncc1Br.Cc1nnc(-c2cc(C)c(Br)cn2)o1
InChIInChI=1S/C9H8BrN3O.C7H8BrN3O/c1-5-3-8(11-4-7(5)10)9-13-12-6(2)14-9;1-4-2-6(7(12)11-9)10-3-5(4)8/h3-4H,1-2H3;2-3H,9H2,1H3,(H,11,12)
InChIKeyWDYVHEQFQKEYBG-UHFFFAOYSA-N
MW484.15 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole

5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 161477965) has the molecular formula C16H16Br2N6O2 and a molecular weight of 484.15 g/mol. Its IUPAC name is 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole
PubChem CID161477965
Molecular FormulaC16H16Br2N6O2
Molecular Weight484.15 g/mol
Exact Mass481.97
IUPAC Name5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1cc(C(=O)NN)ncc1Br.Cc1nnc(-c2cc(C)c(Br)cn2)o1
InChIInChI=1S/C9H8BrN3O.C7H8BrN3O/c1-5-3-8(11-4-7(5)10)9-13-12-6(2)14-9;1-4-2-6(7(12)11-9)10-3-5(4)8/h3-4H,1-2H3;2-3H,9H2,1H3,(H,11,12)
InChIKeyWDYVHEQFQKEYBG-UHFFFAOYSA-N
XLogP3.27
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.15
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole (CID 161477965) is 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole is Cc1cc(C(=O)NN)ncc1Br.Cc1nnc(-c2cc(C)c(Br)cn2)o1.
What is the InChIKey of 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is WDYVHEQFQKEYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O.C7H8BrN3O/c1-5-3-8(11-4-7(5)10)9-13-12-6(2)14-9;1-4-2-6(7(12)11-9)10-3-5(4)8/h3-4H,1-2H3;2-3H,9H2,1H3,(H,11,12).
What are the key properties of 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole?
5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 484.15 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylpyridine-2-carbohydrazide;2-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 161477965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).