pyridin-2-yl 2-acetyloxybenzoate

C14H11NO4 — CID 835876

IUPACpyridin-2-yl 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)Oc1ccccn1
InChIInChI=1S/C14H11NO4/c1-10(16)18-12-7-3-2-6-11(12)14(17)19-13-8-4-5-9-15-13/h2-9H,1H3
InChIKeyYZOODLZJZPGSER-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.23
Rot. Bonds3

About pyridin-2-yl 2-acetyloxybenzoate

pyridin-2-yl 2-acetyloxybenzoate (PubChem CID 835876) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is pyridin-2-yl 2-acetyloxybenzoate.

Molecular Properties

Compound Namepyridin-2-yl 2-acetyloxybenzoate
PubChem CID835876
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namepyridin-2-yl 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)Oc1ccccn1
InChIInChI=1S/C14H11NO4/c1-10(16)18-12-7-3-2-6-11(12)14(17)19-13-8-4-5-9-15-13/h2-9H,1H3
InChIKeyYZOODLZJZPGSER-UHFFFAOYSA-N
XLogP2.23
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
formic acid;pyridin-2-yl acetate
CID 174913305
ethyl 2-acetyloxybenzoate;pyridine
CID 174842838
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
dipyridin-2-yl carbonate
CID 2757370
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
dicopper;2-acetyloxybenzoic acid;bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139056948
pyridin-2-yl 1H-1,2,4-triazole-5-carboxylate
CID 150232727
6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465
pyridin-2-yl 3,4-dimethoxybenzoate
CID 35206042
pyridin-2-yl ethaneperoxoate
CID 87694158

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl 2-acetyloxybenzoate?
The IUPAC name of pyridin-2-yl 2-acetyloxybenzoate (CID 835876) is pyridin-2-yl 2-acetyloxybenzoate.
What is the SMILES notation for pyridin-2-yl 2-acetyloxybenzoate?
The canonical SMILES for pyridin-2-yl 2-acetyloxybenzoate is CC(=O)Oc1ccccc1C(=O)Oc1ccccn1.
What is the InChIKey of pyridin-2-yl 2-acetyloxybenzoate?
The InChIKey is YZOODLZJZPGSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-10(16)18-12-7-3-2-6-11(12)14(17)19-13-8-4-5-9-15-13/h2-9H,1H3.
What are the key properties of pyridin-2-yl 2-acetyloxybenzoate?
pyridin-2-yl 2-acetyloxybenzoate has a molecular weight of 257.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 2-acetyloxybenzoate is sourced from PubChem (CID 835876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).