5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid

C9H10BrNO3 — CID 134163326

IUPAC5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid
SMILESCOc1nc(C)c(Br)c(C)c1C(=O)O
InChIInChI=1S/C9H10BrNO3/c1-4-6(9(12)13)8(14-3)11-5(2)7(4)10/h1-3H3,(H,12,13)
InChIKeyLGSGVIDMCWKYKV-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.17
Rot. Bonds2

About 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid

5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 134163326) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID134163326
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid
SMILESCOc1nc(C)c(Br)c(C)c1C(=O)O
InChIInChI=1S/C9H10BrNO3/c1-4-6(9(12)13)8(14-3)11-5(2)7(4)10/h1-3H3,(H,12,13)
InChIKeyLGSGVIDMCWKYKV-UHFFFAOYSA-N
XLogP2.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid (CID 134163326) is 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid is COc1nc(C)c(Br)c(C)c1C(=O)O.
What is the InChIKey of 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is LGSGVIDMCWKYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-4-6(9(12)13)8(14-3)11-5(2)7(4)10/h1-3H3,(H,12,13).
What are the key properties of 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid?
5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 260.09 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 134163326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).