5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid

C11H15NO3 — CID 115491098

IUPAC5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
SMILESCCC(C)(C)Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15NO3/c1-4-11(2,3)15-8-5-6-9(10(13)14)12-7-8/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyZPMVMSZHWUWQRG-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.35
Rot. Bonds4

About 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid

5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid (PubChem CID 115491098) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
PubChem CID115491098
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
SMILESCCC(C)(C)Oc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15NO3/c1-4-11(2,3)15-8-5-6-9(10(13)14)12-7-8/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyZPMVMSZHWUWQRG-UHFFFAOYSA-N
XLogP2.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylbutan-2-yloxy)-2-[5-(2-methylbutan-2-yloxy)-2-pyridinyl]pyridine
CID 69024589
5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79794697
5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795048
5-(3-cyano-3-methylbutoxy)pyridine-2-carboxylic acid
CID 79794074
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
5-but-2-ynoxypyridine-2-carboxylic acid
CID 67979507
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
5-(4-ethoxy-4-oxobutoxy)pyridine-2-carboxylic acid
CID 156739390
5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794170
5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
CID 79794520
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid (CID 115491098) is 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid is CCC(C)(C)Oc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid?
The InChIKey is ZPMVMSZHWUWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-11(2,3)15-8-5-6-9(10(13)14)12-7-8/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid?
5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 115491098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).