methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate

C14H12Br2N2O2 — CID 141495148

IUPACmethyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate
SMILESCOC(=O)c1c(C)c(Br)nc(-c2cccc(Br)n2)c1C
InChIInChI=1S/C14H12Br2N2O2/c1-7-11(14(19)20-3)8(2)13(16)18-12(7)9-5-4-6-10(15)17-9/h4-6H,1-3H3
InChIKeyFFIGCSJQMBDQNG-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.07
Rot. Bonds2

About methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate

methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate (PubChem CID 141495148) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate
PubChem CID141495148
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Namemethyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate
SMILESCOC(=O)c1c(C)c(Br)nc(-c2cccc(Br)n2)c1C
InChIInChI=1S/C14H12Br2N2O2/c1-7-11(14(19)20-3)8(2)13(16)18-12(7)9-5-4-6-10(15)17-9/h4-6H,1-3H3
InChIKeyFFIGCSJQMBDQNG-UHFFFAOYSA-N
XLogP4.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(6-bromo-2-pyridinyl)-1,2,4-oxadiazole-5-carboxylate
CID 58366196
ethyl 3-(6-bromo-2-pyridinyl)-5-chloro-1H-pyrazole-4-carboxylate
CID 23055492
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate
CID 23055536
methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
CID 91008132
ethyl 3-amino-5-(6-bromo-2-pyridinyl)-1H-pyrazole-4-carboxylate
CID 88691666
methyl 2-bromo-3,4,5,6-tetramethylbenzoate
CID 617466
ethane;methyl 6-bromo-3-methylpyridine-2-carboxylate
CID 169269843
methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate
CID 70473258
2-bromo-6-(2-methoxy-3,4-dimethylphenyl)pyridine
CID 103434425
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
ethyl 6-bromopyridine-2-carboxylate
CID 2758810

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate?
The IUPAC name of methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate (CID 141495148) is methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate is COC(=O)c1c(C)c(Br)nc(-c2cccc(Br)n2)c1C.
What is the InChIKey of methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate?
The InChIKey is FFIGCSJQMBDQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-7-11(14(19)20-3)8(2)13(16)18-12(7)9-5-4-6-10(15)17-9/h4-6H,1-3H3.
What are the key properties of methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate?
methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate has a molecular weight of 400.07 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-6-(6-bromo-2-pyridinyl)-3,5-dimethylpyridine-4-carboxylate is sourced from PubChem (CID 141495148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).