5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate

C37H36Br6N6O5 — CID 162122214

About 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate

5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate (PubChem CID 162122214) has the molecular formula C37H36Br6N6O5 and a molecular weight of 1124.16 g/mol. Its IUPAC name is 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate
• PubChem CID: 162122214
• Molecular Formula: C37H36Br6N6O5
• Molecular Weight: 1124.16 g/mol
• Exact Mass: 1117.78
• IUPAC Name: 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate
• SMILES: C=Cc1cc(C)c(Br)cn1.CNC(=O)c1cc(C)c(Br)cn1.COC(=O)c1cc(C)c(Br)cn1.Cc1cc(Br)ncc1Br.Cc1cc(C(=O)O)ncc1Br
• InChI: InChI=1S/C8H9BrN2O.C8H8BrNO2.C8H8BrN.C7H6BrNO2.C6H5Br2N/c1-5-3-7(8(12)10-2)11-4-6(5)9;1-5-3-7(8(11)12-2)10-4-6(5)9;1-3-7-4-6(2)8(9)5-10-7;1-4-2-6(7(10)11)9-3-5(4)8;1-4-2-6(8)9-3-5(4)7/h3-4H,1-2H3,(H,10,12);3-4H,1-2H3;3-5H,1H2,2H3;2-3H,1H3,(H,10,11);2-3H,1H3
• InChIKey: ZHOILSKLCPXVBC-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 157.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.16
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate?

The IUPAC name of 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate (CID 162122214) is 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate.

What is the SMILES notation for 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate?

The canonical SMILES for 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate is C=Cc1cc(C)c(Br)cn1.CNC(=O)c1cc(C)c(Br)cn1.COC(=O)c1cc(C)c(Br)cn1.Cc1cc(Br)ncc1Br.Cc1cc(C(=O)O)ncc1Br.

What is the InChIKey of 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate?

The InChIKey is ZHOILSKLCPXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O.C8H8BrNO2.C8H8BrN.C7H6BrNO2.C6H5Br2N/c1-5-3-7(8(12)10-2)11-4-6(5)9;1-5-3-7(8(11)12-2)10-4-6(5)9;1-3-7-4-6(2)8(9)5-10-7;1-4-2-6(7(10)11)9-3-5(4)8;1-4-2-6(8)9-3-5(4)7/h3-4H,1-2H3,(H,10,12);3-4H,1-2H3;3-5H,1H2,2H3;2-3H,1H3,(H,10,11);2-3H,1H3.

What are the key properties of 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate?

5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate has a molecular weight of 1124.16 g/mol, XLogP of 11.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 162122214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).