2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid

C9H11NO3 — CID 82526321

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
SMILESCc1cc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H11NO3/c1-5-3-6(2)10-9(13)7(5)4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyKOHCDWGQNIFECG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.62
Rot. Bonds2

About 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid

2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid (PubChem CID 82526321) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
PubChem CID82526321
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
SMILESCc1cc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H11NO3/c1-5-3-6(2)10-9(13)7(5)4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyKOHCDWGQNIFECG-UHFFFAOYSA-N
XLogP0.62
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid (CID 82526321) is 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid is Cc1cc(C)c(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid?
The InChIKey is KOHCDWGQNIFECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-3-6(2)10-9(13)7(5)4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid?
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid is sourced from PubChem (CID 82526321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).