2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid

C11H13NO2 — CID 89358135

IUPAC2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid
SMILESC=CC(C)(C)c1ncccc1C(=O)O
InChIInChI=1S/C11H13NO2/c1-4-11(2,3)9-8(10(13)14)6-5-7-12-9/h4-7H,1H2,2-3H3,(H,13,14)
InChIKeyWYHYKJHQECIMTC-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid

2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid (PubChem CID 89358135) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid
PubChem CID89358135
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid
SMILESC=CC(C)(C)c1ncccc1C(=O)O
InChIInChI=1S/C11H13NO2/c1-4-11(2,3)9-8(10(13)14)6-5-7-12-9/h4-7H,1H2,2-3H3,(H,13,14)
InChIKeyWYHYKJHQECIMTC-UHFFFAOYSA-N
XLogP2.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid
CID 129319079
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid
CID 70182858
pyridine-2,3-dicarboxylic acid
CID 1066
2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
CID 53222591
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
CID 119078369
CID 119078369
(3-carboxy-2-pyridinyl)astatine
CID 174507208
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid (CID 89358135) is 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid is C=CC(C)(C)c1ncccc1C(=O)O.
What is the InChIKey of 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid?
The InChIKey is WYHYKJHQECIMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-4-11(2,3)9-8(10(13)14)6-5-7-12-9/h4-7H,1H2,2-3H3,(H,13,14).
What are the key properties of 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid?
2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 89358135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).