2-pyridin-2-yloxypentanoic acid

C10H13NO3 — CID 69474855

IUPAC2-pyridin-2-yloxypentanoic acid
SMILESCCCC(Oc1ccccn1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-5-8(10(12)13)14-9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3,(H,12,13)
InChIKeyXVSLQZNLIJCWCJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.71
Rot. Bonds5

About 2-pyridin-2-yloxypentanoic acid

2-pyridin-2-yloxypentanoic acid (PubChem CID 69474855) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-pyridin-2-yloxypentanoic acid.

Molecular Properties

Compound Name2-pyridin-2-yloxypentanoic acid
PubChem CID69474855
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-pyridin-2-yloxypentanoic acid
SMILESCCCC(Oc1ccccn1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-5-8(10(12)13)14-9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3,(H,12,13)
InChIKeyXVSLQZNLIJCWCJ-UHFFFAOYSA-N
XLogP1.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentan-3-yloxypyridine
CID 45091035
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-butoxypyridine;carbonic acid
CID 159061563
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pentanoic acid
CID 83037445
(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid
CID 129452128
(2R)-2-phenoxyhexanoic acid
CID 71401043
sodium 2-phenoxypentanoate
CID 59946136
2-(2-bromo-4-phenylphenoxy)pentanoic acid
CID 54792667
2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
CID 83041368
2-(benzenecarbonothioyloxy)pentanoic acid
CID 174841835
3-ethoxy-1-pyridin-2-ylhexan-2-one
CID 116707835

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yloxypentanoic acid?
The IUPAC name of 2-pyridin-2-yloxypentanoic acid (CID 69474855) is 2-pyridin-2-yloxypentanoic acid.
What is the SMILES notation for 2-pyridin-2-yloxypentanoic acid?
The canonical SMILES for 2-pyridin-2-yloxypentanoic acid is CCCC(Oc1ccccn1)C(=O)O.
What is the InChIKey of 2-pyridin-2-yloxypentanoic acid?
The InChIKey is XVSLQZNLIJCWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-5-8(10(12)13)14-9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-pyridin-2-yloxypentanoic acid?
2-pyridin-2-yloxypentanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yloxypentanoic acid is sourced from PubChem (CID 69474855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).