2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid

C8H9NO3 — CID 45357333

IUPAC2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid
SMILESCc1cccc(C(O)C(=O)O)n1
InChIInChI=1S/C8H9NO3/c1-5-3-2-4-6(9-5)7(10)8(11)12/h2-4,7,10H,1H3,(H,11,12)
InChIKeySXTABPKZGDVSOE-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.51
Rot. Bonds2

About 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid

2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid (PubChem CID 45357333) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid
PubChem CID45357333
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid
SMILESCc1cccc(C(O)C(=O)O)n1
InChIInChI=1S/C8H9NO3/c1-5-3-2-4-6(9-5)7(10)8(11)12/h2-4,7,10H,1H3,(H,11,12)
InChIKeySXTABPKZGDVSOE-UHFFFAOYSA-N
XLogP0.51
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid (CID 45357333) is 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid is Cc1cccc(C(O)C(=O)O)n1.
What is the InChIKey of 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid?
The InChIKey is SXTABPKZGDVSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-2-4-6(9-5)7(10)8(11)12/h2-4,7,10H,1H3,(H,11,12).
What are the key properties of 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid?
2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(6-methyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 45357333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).