(5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate

C11H15NO3 — CID 129075403

IUPAC(5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate
SMILESCc1cc(O)cnc1OC(=O)C(C)(C)C
InChIInChI=1S/C11H15NO3/c1-7-5-8(13)6-12-9(7)15-10(14)11(2,3)4/h5-6,13H,1-4H3
InChIKeyUHXDXEHAYWUPML-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.05
Rot. Bonds1

About (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate

(5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate (PubChem CID 129075403) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate
PubChem CID129075403
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate
SMILESCc1cc(O)cnc1OC(=O)C(C)(C)C
InChIInChI=1S/C11H15NO3/c1-7-5-8(13)6-12-9(7)15-10(14)11(2,3)4/h5-6,13H,1-4H3
InChIKeyUHXDXEHAYWUPML-UHFFFAOYSA-N
XLogP2.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate?
The IUPAC name of (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate (CID 129075403) is (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate?
The canonical SMILES for (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate is Cc1cc(O)cnc1OC(=O)C(C)(C)C.
What is the InChIKey of (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate?
The InChIKey is UHXDXEHAYWUPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-8(13)6-12-9(7)15-10(14)11(2,3)4/h5-6,13H,1-4H3.
What are the key properties of (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate?
(5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate has a molecular weight of 209.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methyl-2-pyridinyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 129075403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).