2-(6-methyl-2H-pyridin-1-yl)acetic acid

C8H11NO2 — CID 123691826

IUPAC2-(6-methyl-2H-pyridin-1-yl)acetic acid
SMILESCC1=CC=CCN1CC(=O)O
InChIInChI=1S/C8H11NO2/c1-7-4-2-3-5-9(7)6-8(10)11/h2-4H,5-6H2,1H3,(H,10,11)
InChIKeyKQXSMJXYBOKDHL-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.85
Rot. Bonds2

About 2-(6-methyl-2H-pyridin-1-yl)acetic acid

2-(6-methyl-2H-pyridin-1-yl)acetic acid (PubChem CID 123691826) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(6-methyl-2H-pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-2H-pyridin-1-yl)acetic acid
PubChem CID123691826
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(6-methyl-2H-pyridin-1-yl)acetic acid
SMILESCC1=CC=CCN1CC(=O)O
InChIInChI=1S/C8H11NO2/c1-7-4-2-3-5-9(7)6-8(10)11/h2-4H,5-6H2,1H3,(H,10,11)
InChIKeyKQXSMJXYBOKDHL-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-methyl-2H-pyridin-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2H-pyridin-1-yl)acetic acid?
The IUPAC name of 2-(6-methyl-2H-pyridin-1-yl)acetic acid (CID 123691826) is 2-(6-methyl-2H-pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-2H-pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-2H-pyridin-1-yl)acetic acid is CC1=CC=CCN1CC(=O)O.
What is the InChIKey of 2-(6-methyl-2H-pyridin-1-yl)acetic acid?
The InChIKey is KQXSMJXYBOKDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7-4-2-3-5-9(7)6-8(10)11/h2-4H,5-6H2,1H3,(H,10,11).
What are the key properties of 2-(6-methyl-2H-pyridin-1-yl)acetic acid?
2-(6-methyl-2H-pyridin-1-yl)acetic acid has a molecular weight of 153.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2H-pyridin-1-yl)acetic acid is sourced from PubChem (CID 123691826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).