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

C11H15NO3 — CID 107890063

IUPAC5-pentan-2-yloxypyridine-3-carboxylic acid
SMILESCCCC(C)Oc1cncc(C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-3-4-8(2)15-10-5-9(11(13)14)6-12-7-10/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyYAJCANRRIMDBDF-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.35
Rot. Bonds5

About 5-pentan-2-yloxypyridine-3-carboxylic acid

5-pentan-2-yloxypyridine-3-carboxylic acid (PubChem CID 107890063) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-pentan-2-yloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-pentan-2-yloxypyridine-3-carboxylic acid
PubChem CID107890063
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name5-pentan-2-yloxypyridine-3-carboxylic acid
SMILESCCCC(C)Oc1cncc(C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-3-4-8(2)15-10-5-9(11(13)14)6-12-7-10/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyYAJCANRRIMDBDF-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

1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
5-butoxypyridine-3-carboxylic acid
CID 63851154
5-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxypyridine-3-carboxylic acid
CID 63852020
5-hexoxypyridine-3-carboxylic acid
CID 63850317
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
4-pentan-2-yloxythiophene-2-carboxylic acid
CID 107890074
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
4-hexan-2-yloxybenzoic acid
CID 19593666
3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 116565258
5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55256600

Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yloxypyridine-3-carboxylic acid?
The IUPAC name of 5-pentan-2-yloxypyridine-3-carboxylic acid (CID 107890063) is 5-pentan-2-yloxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-pentan-2-yloxypyridine-3-carboxylic acid?
The canonical SMILES for 5-pentan-2-yloxypyridine-3-carboxylic acid is CCCC(C)Oc1cncc(C(=O)O)c1.
What is the InChIKey of 5-pentan-2-yloxypyridine-3-carboxylic acid?
The InChIKey is YAJCANRRIMDBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-4-8(2)15-10-5-9(11(13)14)6-12-7-10/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-pentan-2-yloxypyridine-3-carboxylic acid?
5-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 5-pentan-2-yloxypyridine-3-carboxylic acid is sourced from PubChem (CID 107890063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).