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

C8H6N2O3 — CID 21493819

IUPAC2-(3-cyano-2-oxo-1-pyridinyl)acetic acid
SMILESN#Cc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C8H6N2O3/c9-4-6-2-1-3-10(8(6)13)5-7(11)12/h1-3H,5H2,(H,11,12)
InChIKeySYYNNJPPXWSNHP-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.20
Rot. Bonds2

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

2-(3-cyano-2-oxo-1-pyridinyl)acetic acid (PubChem CID 21493819) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-cyano-2-oxo-1-pyridinyl)acetic acid
PubChem CID21493819
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name2-(3-cyano-2-oxo-1-pyridinyl)acetic acid
SMILESN#Cc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C8H6N2O3/c9-4-6-2-1-3-10(8(6)13)5-7(11)12/h1-3H,5H2,(H,11,12)
InChIKeySYYNNJPPXWSNHP-UHFFFAOYSA-N
XLogP-0.20
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid (CID 21493819) is 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid is N#Cc1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is SYYNNJPPXWSNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c9-4-6-2-1-3-10(8(6)13)5-7(11)12/h1-3H,5H2,(H,11,12).
What are the key properties of 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid?
2-(3-cyano-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 178.15 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 21493819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).