5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane

C33H38Br4N12O6 — CID 161220727

IUPAC5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane
SMILESC.CC(=O)c1cc(C)c(Br)cn1.Cc1cc(-c2n[nH]c(=O)o2)ncc1Br.Cc1cc(-c2nn(C)c(=O)o2)ncc1Br.Cc1cc(C(=O)NN)ncc1Br.NN
InChIInChI=1S/C9H8BrN3O2.C8H6BrN3O2.C8H8BrNO.C7H8BrN3O.CH4.H4N2/c1-5-3-7(11-4-6(5)10)8-12-13(2)9(14)15-8;1-4-2-6(10-3-5(4)9)7-11-12-8(13)14-7;1-5-3-8(6(2)11)10-4-7(5)9;1-4-2-6(7(12)11-9)10-3-5(4)8;;1-2/h3-4H,1-2H3;2-3H,1H3,(H,12,13);3-4H,1-2H3;2-3H,9H2,1H3,(H,11,12);1H4;1-2H2
InChIKeyUXLSHIFUWZKGPP-UHFFFAOYSA-N
MW1018.36 g/mol
LogP5.57
Rot. Bonds4

About 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane

5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane (PubChem CID 161220727) has the molecular formula C33H38Br4N12O6 and a molecular weight of 1018.36 g/mol. Its IUPAC name is 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane.

Molecular Properties

Compound Name5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane
PubChem CID161220727
Molecular FormulaC33H38Br4N12O6
Molecular Weight1018.36 g/mol
Exact Mass1013.98
IUPAC Name5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane
SMILESC.CC(=O)c1cc(C)c(Br)cn1.Cc1cc(-c2n[nH]c(=O)o2)ncc1Br.Cc1cc(-c2nn(C)c(=O)o2)ncc1Br.Cc1cc(C(=O)NN)ncc1Br.NN
InChIInChI=1S/C9H8BrN3O2.C8H6BrN3O2.C8H8BrNO.C7H8BrN3O.CH4.H4N2/c1-5-3-7(11-4-6(5)10)8-12-13(2)9(14)15-8;1-4-2-6(10-3-5(4)9)7-11-12-8(13)14-7;1-5-3-8(6(2)11)10-4-7(5)9;1-4-2-6(7(12)11-9)10-3-5(4)8;;1-2/h3-4H,1-2H3;2-3H,1H3,(H,12,13);3-4H,1-2H3;2-3H,9H2,1H3,(H,11,12);1H4;1-2H2
InChIKeyUXLSHIFUWZKGPP-UHFFFAOYSA-N
XLogP5.57
TPSA282.71 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001018.36
LogP ≤ 55.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

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;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane?
The IUPAC name of 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane (CID 161220727) is 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane.
What is the SMILES notation for 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane?
The canonical SMILES for 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane is C.CC(=O)c1cc(C)c(Br)cn1.Cc1cc(-c2n[nH]c(=O)o2)ncc1Br.Cc1cc(-c2nn(C)c(=O)o2)ncc1Br.Cc1cc(C(=O)NN)ncc1Br.NN.
What is the InChIKey of 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane?
The InChIKey is UXLSHIFUWZKGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2.C8H6BrN3O2.C8H8BrNO.C7H8BrN3O.CH4.H4N2/c1-5-3-7(11-4-6(5)10)8-12-13(2)9(14)15-8;1-4-2-6(10-3-5(4)9)7-11-12-8(13)14-7;1-5-3-8(6(2)11)10-4-7(5)9;1-4-2-6(7(12)11-9)10-3-5(4)8;;1-2/h3-4H,1-2H3;2-3H,1H3,(H,12,13);3-4H,1-2H3;2-3H,9H2,1H3,(H,11,12);1H4;1-2H2.
What are the key properties of 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane?
5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane has a molecular weight of 1018.36 g/mol, XLogP of 5.57, 4 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylpyridine-2-carbohydrazide;1-(5-bromo-4-methyl-2-pyridinyl)ethanone;5-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one;5-(5-bromo-4-methyl-2-pyridinyl)-3H-1,3,4-oxadiazol-2-one;hydrazine;methane is sourced from PubChem (CID 161220727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).