2-pyridin-3-yloxypropanoic acid

C8H9NO3 — CID 22668209

IUPAC2-pyridin-3-yloxypropanoic acid
SMILESCC(Oc1cccnc1)C(=O)O
InChIInChI=1S/C8H9NO3/c1-6(8(10)11)12-7-3-2-4-9-5-7/h2-6H,1H3,(H,10,11)
InChIKeyZREDEAUTHWGQBB-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.93
Rot. Bonds3

About 2-pyridin-3-yloxypropanoic acid

2-pyridin-3-yloxypropanoic acid (PubChem CID 22668209) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-pyridin-3-yloxypropanoic acid.

Molecular Properties

Compound Name2-pyridin-3-yloxypropanoic acid
PubChem CID22668209
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-pyridin-3-yloxypropanoic acid
SMILESCC(Oc1cccnc1)C(=O)O
InChIInChI=1S/C8H9NO3/c1-6(8(10)11)12-7-3-2-4-9-5-7/h2-6H,1H3,(H,10,11)
InChIKeyZREDEAUTHWGQBB-UHFFFAOYSA-N
XLogP0.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-pyridin-3-yloxybutanoic acid
CID 18796174
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
2-isoquinolin-6-yloxypropanoic acid
CID 82580346
N-[2-(methylamino)ethyl]-2-pyridin-3-yloxypropanamide
CID 119503233
(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
(2R)-2-[3-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]propanoic acid
CID 95245303
2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide
CID 90578916
2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 44714938
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride
CID 119587934

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxypropanoic acid?
The IUPAC name of 2-pyridin-3-yloxypropanoic acid (CID 22668209) is 2-pyridin-3-yloxypropanoic acid.
What is the SMILES notation for 2-pyridin-3-yloxypropanoic acid?
The canonical SMILES for 2-pyridin-3-yloxypropanoic acid is CC(Oc1cccnc1)C(=O)O.
What is the InChIKey of 2-pyridin-3-yloxypropanoic acid?
The InChIKey is ZREDEAUTHWGQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6(8(10)11)12-7-3-2-4-9-5-7/h2-6H,1H3,(H,10,11).
What are the key properties of 2-pyridin-3-yloxypropanoic acid?
2-pyridin-3-yloxypropanoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxypropanoic acid is sourced from PubChem (CID 22668209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).