2-(4,6-dimethyl-2-pyridinyl)acetic acid

C9H11NO2 — CID 23339817

IUPAC2-(4,6-dimethyl-2-pyridinyl)acetic acid
SMILESCc1cc(C)nc(CC(=O)O)c1
InChIInChI=1S/C9H11NO2/c1-6-3-7(2)10-8(4-6)5-9(11)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyIQWFZPGUHUYVJI-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.33
Rot. Bonds2

About 2-(4,6-dimethyl-2-pyridinyl)acetic acid

2-(4,6-dimethyl-2-pyridinyl)acetic acid (PubChem CID 23339817) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyridinyl)acetic acid
PubChem CID23339817
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(4,6-dimethyl-2-pyridinyl)acetic acid
SMILESCc1cc(C)nc(CC(=O)O)c1
InChIInChI=1S/C9H11NO2/c1-6-3-7(2)10-8(4-6)5-9(11)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyIQWFZPGUHUYVJI-UHFFFAOYSA-N
XLogP1.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methylpyrazin-2-yl)acetic acid
CID 82594952
CID 131847838
CID 131847838
2-[2-chloro-3-(difluoromethyl)-6-methyl-4-pyridinyl]acetic acid
CID 119019019
2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
CID 82574993
2-(6-tert-butyl-2-methylpyrimidin-4-yl)acetic acid
CID 83852195
2-(6-ethynyl-2-methylpyrimidin-4-yl)acetic acid
CID 174602703
4-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]benzoic acid
CID 159587987
2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 82478865
2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 83852579
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
CID 82575003

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)acetic acid (CID 23339817) is 2-(4,6-dimethyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(4,6-dimethyl-2-pyridinyl)acetic acid is Cc1cc(C)nc(CC(=O)O)c1.
What is the InChIKey of 2-(4,6-dimethyl-2-pyridinyl)acetic acid?
The InChIKey is IQWFZPGUHUYVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-3-7(2)10-8(4-6)5-9(11)12/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-(4,6-dimethyl-2-pyridinyl)acetic acid?
2-(4,6-dimethyl-2-pyridinyl)acetic acid has a molecular weight of 165.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 23339817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).