methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate

C8H9BrN2O2 — CID 84728484

IUPACmethyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(Br)c(N)cc1C
InChIInChI=1S/C8H9BrN2O2/c1-4-3-5(10)7(9)11-6(4)8(12)13-2/h3H,10H2,1-2H3
InChIKeyMJBPCPQSSMAVOM-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.52
Rot. Bonds1

About methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate

methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate (PubChem CID 84728484) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
PubChem CID84728484
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(Br)c(N)cc1C
InChIInChI=1S/C8H9BrN2O2/c1-4-3-5(10)7(9)11-6(4)8(12)13-2/h3H,10H2,1-2H3
InChIKeyMJBPCPQSSMAVOM-UHFFFAOYSA-N
XLogP1.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.52
H-Bond Donors ≤ 51
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-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
CID 135240587
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
3-amino-6-bromo-5-methylpyridine-2-carboxylic acid
CID 105488793
3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
CID 159313414
ethane;methyl 6-bromo-3-methylpyridine-2-carboxylate
CID 169269843
2-bromo-5-methyl-6-(2,3,4,5,6-pentafluorophenoxy)carbonylpyridin-3-olate
CID 178149288
methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
CID 155682412
methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199677
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199632
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate (CID 84728484) is methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate is COC(=O)c1nc(Br)c(N)cc1C.
What is the InChIKey of methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate?
The InChIKey is MJBPCPQSSMAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-4-3-5(10)7(9)11-6(4)8(12)13-2/h3H,10H2,1-2H3.
What are the key properties of methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate?
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate has a molecular weight of 245.08 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 84728484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).