2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid

C8H9NO4 — CID 21320046

IUPAC2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid
SMILESCOc1cn(CC(=O)O)ccc1=O
InChIInChI=1S/C8H9NO4/c1-13-7-4-9(5-8(11)12)3-2-6(7)10/h2-4H,5H2,1H3,(H,11,12)
InChIKeyAUQRCEONLFOBIP-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.06
Rot. Bonds3

About 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid

2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid (PubChem CID 21320046) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid
PubChem CID21320046
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid
SMILESCOc1cn(CC(=O)O)ccc1=O
InChIInChI=1S/C8H9NO4/c1-13-7-4-9(5-8(11)12)3-2-6(7)10/h2-4H,5H2,1H3,(H,11,12)
InChIKeyAUQRCEONLFOBIP-UHFFFAOYSA-N
XLogP-0.06
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid (CID 21320046) is 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid is COc1cn(CC(=O)O)ccc1=O.
What is the InChIKey of 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid?
The InChIKey is AUQRCEONLFOBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-7-4-9(5-8(11)12)3-2-6(7)10/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid?
2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid has a molecular weight of 183.16 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 21320046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).