methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate

C8H8BrNO3 — CID 142367193

IUPACmethyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(Br)c1O
InChIInChI=1S/C8H8BrNO3/c1-4-3-5(9)7(11)6(10-4)8(12)13-2/h3,11H,1-2H3
InChIKeyPBMSZWSFGHTIFN-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.64
Rot. Bonds1

About methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate

methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate (PubChem CID 142367193) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
PubChem CID142367193
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Namemethyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(Br)c1O
InChIInChI=1S/C8H8BrNO3/c1-4-3-5(9)7(11)6(10-4)8(12)13-2/h3,11H,1-2H3
InChIKeyPBMSZWSFGHTIFN-UHFFFAOYSA-N
XLogP1.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
CID 123968717
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 107502186
methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
CID 135240587
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
methyl 2-(2,6-dibromo-4-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422975
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate (CID 142367193) is methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate is COC(=O)c1nc(C)cc(Br)c1O.
What is the InChIKey of methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate?
The InChIKey is PBMSZWSFGHTIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-4-3-5(9)7(11)6(10-4)8(12)13-2/h3,11H,1-2H3.
What are the key properties of methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate?
methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate has a molecular weight of 246.06 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 142367193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).