(5-formyl-2-pyridin-2-ylphenyl) acetate

C14H11NO3 — CID 132544858

IUPAC(5-formyl-2-pyridin-2-ylphenyl) acetate
SMILESCC(=O)Oc1cc(C=O)ccc1-c1ccccn1
InChIInChI=1S/C14H11NO3/c1-10(17)18-14-8-11(9-16)5-6-12(14)13-4-2-3-7-15-13/h2-9H,1H3
InChIKeyWPMBZOBRCJJTFX-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.49
Rot. Bonds3

About (5-formyl-2-pyridin-2-ylphenyl) acetate

(5-formyl-2-pyridin-2-ylphenyl) acetate (PubChem CID 132544858) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (5-formyl-2-pyridin-2-ylphenyl) acetate.

Molecular Properties

Compound Name(5-formyl-2-pyridin-2-ylphenyl) acetate
PubChem CID132544858
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name(5-formyl-2-pyridin-2-ylphenyl) acetate
SMILESCC(=O)Oc1cc(C=O)ccc1-c1ccccn1
InChIInChI=1S/C14H11NO3/c1-10(17)18-14-8-11(9-16)5-6-12(14)13-4-2-3-7-15-13/h2-9H,1H3
InChIKeyWPMBZOBRCJJTFX-UHFFFAOYSA-N
XLogP2.49
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-formyl-2-pyridin-2-ylphenyl) acetate with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-4-pyridin-2-ylbenzaldehyde
CID 24899762
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
CID 740771
(3-acetyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187630
formic acid;pyridin-2-yl acetate
CID 174913305
4-[2-(2-pyridin-2-yl-4-pyridinyl)ethenyl]benzaldehyde
CID 54562489
(3-methoxy-4-pyridin-2-ylphenyl)methanol
CID 71195386
2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid
CID 139894117
3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 30767545
4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one
CID 72723470
2-bromo-2-(3-methoxy-4-pyridin-2-ylphenyl)acetaldehyde
CID 87801528
2-(2-acetyloxy-4-formylphenoxy)butanoic acid
CID 118557029

Frequently Asked Questions

What is the IUPAC name of (5-formyl-2-pyridin-2-ylphenyl) acetate?
The IUPAC name of (5-formyl-2-pyridin-2-ylphenyl) acetate (CID 132544858) is (5-formyl-2-pyridin-2-ylphenyl) acetate.
What is the SMILES notation for (5-formyl-2-pyridin-2-ylphenyl) acetate?
The canonical SMILES for (5-formyl-2-pyridin-2-ylphenyl) acetate is CC(=O)Oc1cc(C=O)ccc1-c1ccccn1.
What is the InChIKey of (5-formyl-2-pyridin-2-ylphenyl) acetate?
The InChIKey is WPMBZOBRCJJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-10(17)18-14-8-11(9-16)5-6-12(14)13-4-2-3-7-15-13/h2-9H,1H3.
What are the key properties of (5-formyl-2-pyridin-2-ylphenyl) acetate?
(5-formyl-2-pyridin-2-ylphenyl) acetate has a molecular weight of 241.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyl-2-pyridin-2-ylphenyl) acetate is sourced from PubChem (CID 132544858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).