2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid

C10H10N2O3 — CID 6462962

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCc1cc(C)n(CC(=O)O)c(=O)c1C#N
InChIInChI=1S/C10H10N2O3/c1-6-3-7(2)12(5-9(13)14)10(15)8(6)4-11/h3H,5H2,1-2H3,(H,13,14)
InChIKeyYULVOEPADNJSMK-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.42
Rot. Bonds2

About 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 6462962) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID6462962
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCc1cc(C)n(CC(=O)O)c(=O)c1C#N
InChIInChI=1S/C10H10N2O3/c1-6-3-7(2)12(5-9(13)14)10(15)8(6)4-11/h3H,5H2,1-2H3,(H,13,14)
InChIKeyYULVOEPADNJSMK-UHFFFAOYSA-N
XLogP0.42
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid (CID 6462962) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid is Cc1cc(C)n(CC(=O)O)c(=O)c1C#N.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is YULVOEPADNJSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-3-7(2)12(5-9(13)14)10(15)8(6)4-11/h3H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 6462962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).