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

C9H11NO3 — CID 20641797

IUPAC2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCc1ccc(C)n(CC(=O)O)c1=O
InChIInChI=1S/C9H11NO3/c1-6-3-4-7(2)10(9(6)13)5-8(11)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyOEUBXYAEASGSMU-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.55
Rot. Bonds2

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

2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 20641797) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID20641797
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCc1ccc(C)n(CC(=O)O)c1=O
InChIInChI=1S/C9H11NO3/c1-6-3-4-7(2)10(9(6)13)5-8(11)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyOEUBXYAEASGSMU-UHFFFAOYSA-N
XLogP0.55
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 651661
2-(3-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 39103283
2-(4-Iodo-3-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 177799701
6-Oxo-1-prop-2-enyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497862
2-[6-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458848
1,5-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 151346110
(R)-2-(2-Oxopyridin-1(2H)-yl)propanoic acid
CID 94745802
2-Fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid
CID 81297756
2-Fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetic acid
CID 81298415
(2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 102267043
1-Ethyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125499304
5-Ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 13597169

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid (CID 20641797) is 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid is Cc1ccc(C)n(CC(=O)O)c1=O.
What is the InChIKey of 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is OEUBXYAEASGSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-4-7(2)10(9(6)13)5-8(11)12/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid?
2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 20641797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).