2-(1-methyl-2-oxo-3-pyridinyl)acetic acid

C8H9NO3 — CID 13485298

IUPAC2-(1-methyl-2-oxo-3-pyridinyl)acetic acid
SMILESCn1cccc(CC(=O)O)c1=O
InChIInChI=1S/C8H9NO3/c1-9-4-2-3-6(8(9)12)5-7(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyHGBTWFGOJLSEAG-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.01
Rot. Bonds2

About 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid

2-(1-methyl-2-oxo-3-pyridinyl)acetic acid (PubChem CID 13485298) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2-oxo-3-pyridinyl)acetic acid
PubChem CID13485298
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(1-methyl-2-oxo-3-pyridinyl)acetic acid
SMILESCn1cccc(CC(=O)O)c1=O
InChIInChI=1S/C8H9NO3/c1-9-4-2-3-6(8(9)12)5-7(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyHGBTWFGOJLSEAG-UHFFFAOYSA-N
XLogP0.01
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid?
The IUPAC name of 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid (CID 13485298) is 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid is Cn1cccc(CC(=O)O)c1=O.
What is the InChIKey of 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid?
The InChIKey is HGBTWFGOJLSEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-9-4-2-3-6(8(9)12)5-7(10)11/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid?
2-(1-methyl-2-oxo-3-pyridinyl)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxo-3-pyridinyl)acetic acid is sourced from PubChem (CID 13485298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).