2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid

C12H15NO3 — CID 61003821

IUPAC2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid
SMILESC=CCCOc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C12H15NO3/c1-4-5-6-16-11-10(12(14)15)8(2)7-9(3)13-11/h4,7H,1,5-6H2,2-3H3,(H,14,15)
InChIKeyBYIUZGKLWLPGIG-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.35
Rot. Bonds5

About 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid

2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61003821) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61003821
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid
SMILESC=CCCOc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C12H15NO3/c1-4-5-6-16-11-10(12(14)15)8(2)7-9(3)13-11/h4,7H,1,5-6H2,2-3H3,(H,14,15)
InChIKeyBYIUZGKLWLPGIG-UHFFFAOYSA-N
XLogP2.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid
CID 79680309
4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid
CID 62383709
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61004153
2-(2-methoxyphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678753
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63217042
2-(2-ethoxyethylsulfanyl)-4,6-dimethylpyridine-3-carboxylic acid
CID 60676413
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678494
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63268704
2-(ethoxymethylsulfanyl)-4,6-dimethylpyridine-3-carboxylic acid
CID 65364374
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid (CID 61003821) is 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid is C=CCCOc1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is BYIUZGKLWLPGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-5-6-16-11-10(12(14)15)8(2)7-9(3)13-11/h4,7H,1,5-6H2,2-3H3,(H,14,15).
What are the key properties of 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid?
2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61003821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).