2-(2-acetyloxyethyl)pyridine-3-carboxylic acid

C10H11NO4 — CID 166055626

IUPAC2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
SMILESCC(=O)OCCc1ncccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-7(12)15-6-4-9-8(10(13)14)3-2-5-11-9/h2-3,5H,4,6H2,1H3,(H,13,14)
InChIKeyIWTYCUXJDPLPDT-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.89
Rot. Bonds4

About 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid

2-(2-acetyloxyethyl)pyridine-3-carboxylic acid (PubChem CID 166055626) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
PubChem CID166055626
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
SMILESCC(=O)OCCc1ncccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-7(12)15-6-4-9-8(10(13)14)3-2-5-11-9/h2-3,5H,4,6H2,1H3,(H,13,14)
InChIKeyIWTYCUXJDPLPDT-UHFFFAOYSA-N
XLogP0.89
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-phenylethyl acetate
CID 7654
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
(3-phenyl-2-pyridinyl)methyl acetate
CID 10633060
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide
CID 172813947
acetic acid;2-phenylethyl acetate
CID 174791962

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid (CID 166055626) is 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid is CC(=O)OCCc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid?
The InChIKey is IWTYCUXJDPLPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-7(12)15-6-4-9-8(10(13)14)3-2-5-11-9/h2-3,5H,4,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid?
2-(2-acetyloxyethyl)pyridine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxyethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 166055626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).