2-pentan-2-yloxypyridine-3-carboxylic acid

C11H15NO3 — CID 102980912

IUPAC2-pentan-2-yloxypyridine-3-carboxylic acid
SMILESCCCC(C)Oc1ncccc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-5-8(2)15-10-9(11(13)14)6-4-7-12-10/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyZOCJOMJEYROQAX-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.35
Rot. Bonds5

About 2-pentan-2-yloxypyridine-3-carboxylic acid

2-pentan-2-yloxypyridine-3-carboxylic acid (PubChem CID 102980912) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-pentan-2-yloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-pentan-2-yloxypyridine-3-carboxylic acid
PubChem CID102980912
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-pentan-2-yloxypyridine-3-carboxylic acid
SMILESCCCC(C)Oc1ncccc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-5-8(2)15-10-9(11(13)14)6-4-7-12-10/h4,6-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyZOCJOMJEYROQAX-UHFFFAOYSA-N
XLogP2.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
3-ethoxy-2-pentan-2-yloxybenzoic acid
CID 107890294
3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
2-pentan-2-yloxypyrimidine-4-carboxylic acid
CID 107555052
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
CID 63654439
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
2-(4-hydroxybutan-2-ylsulfanyl)pyridine-3-carboxylic acid
CID 66104811
2-(4-butanoylphenoxy)pyridine-3-carboxylic acid
CID 166523916
3-octan-2-yloxypyrazine-2-carboxylic acid
CID 55107810

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxypyridine-3-carboxylic acid?
The IUPAC name of 2-pentan-2-yloxypyridine-3-carboxylic acid (CID 102980912) is 2-pentan-2-yloxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-pentan-2-yloxypyridine-3-carboxylic acid?
The canonical SMILES for 2-pentan-2-yloxypyridine-3-carboxylic acid is CCCC(C)Oc1ncccc1C(=O)O.
What is the InChIKey of 2-pentan-2-yloxypyridine-3-carboxylic acid?
The InChIKey is ZOCJOMJEYROQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-5-8(2)15-10-9(11(13)14)6-4-7-12-10/h4,6-8H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 2-pentan-2-yloxypyridine-3-carboxylic acid?
2-pentan-2-yloxypyridine-3-carboxylic acid has a molecular weight of 209.25 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-pentan-2-yloxypyridine-3-carboxylic acid is sourced from PubChem (CID 102980912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).