2-pyridin-3-ylacetate

C7H6NO2- — CID 4615299

IUPAC2-pyridin-3-ylacetate
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)/p-1
InChIKeyWGNUNYPERJMVRM-UHFFFAOYSA-M
MW136.13 g/mol
LogP-0.63
Rot. Bonds2

About 2-pyridin-3-ylacetate

2-pyridin-3-ylacetate (PubChem CID 4615299) has the molecular formula C7H6NO2- and a molecular weight of 136.13 g/mol. Its IUPAC name is 2-pyridin-3-ylacetate.

Molecular Properties

Compound Name2-pyridin-3-ylacetate
PubChem CID4615299
Molecular FormulaC7H6NO2-
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name2-pyridin-3-ylacetate
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)/p-1
InChIKeyWGNUNYPERJMVRM-UHFFFAOYSA-M
XLogP-0.63
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Isonicotinic Acid
CID 5922
3-Pyridineacetic acid
CID 108
Isbogrel
CID 5284442
3-Pyridineethanol
CID 80515
4-Pyridineacetic acid hydrochloride
CID 81097
3-(Pyridin-4-yl)propanoic acid
CID 233243
L-4-Pyridylalanine
CID 7009701
3-(Pyridin-3-yl)propanoic acid
CID 259624
Ethyl 3-pyridylacetate
CID 96490
3-Pyridinebutanoic acid
CID 114
Ethyl pyridine-4-acetate
CID 736321
2-Pyridineacetic acid
CID 85318

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylacetate?
The IUPAC name of 2-pyridin-3-ylacetate (CID 4615299) is 2-pyridin-3-ylacetate.
What is the SMILES notation for 2-pyridin-3-ylacetate?
The canonical SMILES for 2-pyridin-3-ylacetate is O=C([O-])Cc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylacetate?
The InChIKey is WGNUNYPERJMVRM-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-pyridin-3-ylacetate?
2-pyridin-3-ylacetate has a molecular weight of 136.13 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylacetate is sourced from PubChem (CID 4615299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).