2-acetyloxy-2H-pyridine-1-carboxylic acid

C8H9NO4 — CID 57005111

IUPAC2-acetyloxy-2H-pyridine-1-carboxylic acid
SMILESCC(=O)OC1C=CC=CN1C(=O)O
InChIInChI=1S/C8H9NO4/c1-6(10)13-7-4-2-3-5-9(7)8(11)12/h2-5,7H,1H3,(H,11,12)
InChIKeyOEEOGWWIDQWFAC-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.94
Rot. Bonds1

About 2-acetyloxy-2H-pyridine-1-carboxylic acid

2-acetyloxy-2H-pyridine-1-carboxylic acid (PubChem CID 57005111) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-acetyloxy-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-acetyloxy-2H-pyridine-1-carboxylic acid
PubChem CID57005111
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-acetyloxy-2H-pyridine-1-carboxylic acid
SMILESCC(=O)OC1C=CC=CN1C(=O)O
InChIInChI=1S/C8H9NO4/c1-6(10)13-7-4-2-3-5-9(7)8(11)12/h2-5,7H,1H3,(H,11,12)
InChIKeyOEEOGWWIDQWFAC-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2H-pyridine-1-carboxylic acid?
The IUPAC name of 2-acetyloxy-2H-pyridine-1-carboxylic acid (CID 57005111) is 2-acetyloxy-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 2-acetyloxy-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 2-acetyloxy-2H-pyridine-1-carboxylic acid is CC(=O)OC1C=CC=CN1C(=O)O.
What is the InChIKey of 2-acetyloxy-2H-pyridine-1-carboxylic acid?
The InChIKey is OEEOGWWIDQWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-6(10)13-7-4-2-3-5-9(7)8(11)12/h2-5,7H,1H3,(H,11,12).
What are the key properties of 2-acetyloxy-2H-pyridine-1-carboxylic acid?
2-acetyloxy-2H-pyridine-1-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 57005111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).