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

C9H11NO3 — CID 82408630

IUPAC2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
SMILESCc1cc(C(O)C(=O)O)cc(C)n1
InChIInChI=1S/C9H11NO3/c1-5-3-7(4-6(2)10-5)8(11)9(12)13/h3-4,8,11H,1-2H3,(H,12,13)
InChIKeyWIGYVEPEUJFTRJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.82
Rot. Bonds2

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

2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid (PubChem CID 82408630) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
PubChem CID82408630
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
SMILESCc1cc(C(O)C(=O)O)cc(C)n1
InChIInChI=1S/C9H11NO3/c1-5-3-7(4-6(2)10-5)8(11)9(12)13/h3-4,8,11H,1-2H3,(H,12,13)
InChIKeyWIGYVEPEUJFTRJ-UHFFFAOYSA-N
XLogP0.82
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
(2,6-dimethyl-4-pyridinyl)methanediol
CID 146515076
2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
CID 171000893
2-(3-bromo-5-chloro-4-methylphenyl)-2-hydroxyacetic acid
CID 171002378
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
2-(4-cyano-3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 171015674
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate
CID 175006803
2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
CID 82415982
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid (CID 82408630) is 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid is Cc1cc(C(O)C(=O)O)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid?
The InChIKey is WIGYVEPEUJFTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-3-7(4-6(2)10-5)8(11)9(12)13/h3-4,8,11H,1-2H3,(H,12,13).
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid?
2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid is sourced from PubChem (CID 82408630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).