2-pyridin-2-ylpropanoic acid

C8H9NO2 — CID 19075788

IUPAC2-pyridin-2-ylpropanoic acid
SMILESCC(C(=O)O)c1ccccn1
InChIInChI=1S/C8H9NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)
InChIKeyFAHOLXKLEQTYTL-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.27
Rot. Bonds2

About 2-pyridin-2-ylpropanoic acid

2-pyridin-2-ylpropanoic acid (PubChem CID 19075788) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-pyridin-2-ylpropanoic acid
PubChem CID19075788
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-pyridin-2-ylpropanoic acid
SMILESCC(C(=O)O)c1ccccn1
InChIInChI=1S/C8H9NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)
InChIKeyFAHOLXKLEQTYTL-UHFFFAOYSA-N
XLogP1.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-pyridin-2-ylpropanoic acid (CID 19075788) is 2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-pyridin-2-ylpropanoic acid is CC(C(=O)O)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylpropanoic acid?
The InChIKey is FAHOLXKLEQTYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(8(10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11).
What are the key properties of 2-pyridin-2-ylpropanoic acid?
2-pyridin-2-ylpropanoic acid has a molecular weight of 151.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 19075788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).