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

C9H11NO2 — CID 90830207

IUPAC2-(6-ethenyl-2H-pyridin-1-yl)acetic acid
SMILESC=CC1=CC=CCN1CC(=O)O
InChIInChI=1S/C9H11NO2/c1-2-8-5-3-4-6-10(8)7-9(11)12/h2-5H,1,6-7H2,(H,11,12)
InChIKeyYHTCQRPIYCCGOM-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.01
Rot. Bonds3

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

2-(6-ethenyl-2H-pyridin-1-yl)acetic acid (PubChem CID 90830207) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(6-ethenyl-2H-pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethenyl-2H-pyridin-1-yl)acetic acid
PubChem CID90830207
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(6-ethenyl-2H-pyridin-1-yl)acetic acid
SMILESC=CC1=CC=CCN1CC(=O)O
InChIInChI=1S/C9H11NO2/c1-2-8-5-3-4-6-10(8)7-9(11)12/h2-5H,1,6-7H2,(H,11,12)
InChIKeyYHTCQRPIYCCGOM-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-ethenyl-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-ethenyl-2H-pyridin-1-yl)acetic acid?
The IUPAC name of 2-(6-ethenyl-2H-pyridin-1-yl)acetic acid (CID 90830207) is 2-(6-ethenyl-2H-pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-ethenyl-2H-pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(6-ethenyl-2H-pyridin-1-yl)acetic acid is C=CC1=CC=CCN1CC(=O)O.
What is the InChIKey of 2-(6-ethenyl-2H-pyridin-1-yl)acetic acid?
The InChIKey is YHTCQRPIYCCGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-8-5-3-4-6-10(8)7-9(11)12/h2-5H,1,6-7H2,(H,11,12).
What are the key properties of 2-(6-ethenyl-2H-pyridin-1-yl)acetic acid?
2-(6-ethenyl-2H-pyridin-1-yl)acetic acid has a molecular weight of 165.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethenyl-2H-pyridin-1-yl)acetic acid is sourced from PubChem (CID 90830207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).