2-pyridin-3-ylacetic acid

C7H7NO2 — CID 108

💊View drug profile → homonicotinic acid
IUPAC2-pyridin-3-ylacetic acid
SMILESO=C(O)Cc1cccnc1
InChIInChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
InChIKeyWGNUNYPERJMVRM-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.71
Rot. Bonds2

About 2-pyridin-3-ylacetic acid

2-pyridin-3-ylacetic acid (PubChem CID 108) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-pyridin-3-ylacetic acid
PubChem CID108
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-pyridin-3-ylacetic acid
SMILESO=C(O)Cc1cccnc1
InChIInChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
InChIKeyWGNUNYPERJMVRM-UHFFFAOYSA-N
XLogP0.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Risedronate
CID 5245
Isonicotinic Acid
CID 5922
Isbogrel
CID 5284442
2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
3-Pyridinebutanoic acid
CID 114
3-(Pyridin-4-yl)propanoic acid
CID 233243
L-4-Pyridylalanine
CID 7009701
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-Pyridineethanol
CID 80515
4-Pyridineacetic acid hydrochloride
CID 81097
Ethyl 3-pyridylacetate
CID 96490
Ethyl pyridine-4-acetate
CID 736321

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylacetic acid?
The IUPAC name of 2-pyridin-3-ylacetic acid (CID 108) is 2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-pyridin-3-ylacetic acid is O=C(O)Cc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylacetic acid?
The InChIKey is WGNUNYPERJMVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10).
What are the key properties of 2-pyridin-3-ylacetic acid?
2-pyridin-3-ylacetic acid has a molecular weight of 137.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylacetic acid is sourced from PubChem (CID 108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).