(2-acetyl-4-fluorophenyl) pyridine-3-carboxylate

C14H10FNO3 — CID 139213841

IUPAC(2-acetyl-4-fluorophenyl) pyridine-3-carboxylate
SMILESCC(=O)c1cc(F)ccc1OC(=O)c1cccnc1
InChIInChI=1S/C14H10FNO3/c1-9(17)12-7-11(15)4-5-13(12)19-14(18)10-3-2-6-16-8-10/h2-8H,1H3
InChIKeyLPTOPKZSPWWZII-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.64
Rot. Bonds3

About (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate

(2-acetyl-4-fluorophenyl) pyridine-3-carboxylate (PubChem CID 139213841) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-acetyl-4-fluorophenyl) pyridine-3-carboxylate
PubChem CID139213841
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name(2-acetyl-4-fluorophenyl) pyridine-3-carboxylate
SMILESCC(=O)c1cc(F)ccc1OC(=O)c1cccnc1
InChIInChI=1S/C14H10FNO3/c1-9(17)12-7-11(15)4-5-13(12)19-14(18)10-3-2-6-16-8-10/h2-8H,1H3
InChIKeyLPTOPKZSPWWZII-UHFFFAOYSA-N
XLogP2.64
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate?
The IUPAC name of (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate (CID 139213841) is (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate.
What is the SMILES notation for (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate?
The canonical SMILES for (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate is CC(=O)c1cc(F)ccc1OC(=O)c1cccnc1.
What is the InChIKey of (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate?
The InChIKey is LPTOPKZSPWWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c1-9(17)12-7-11(15)4-5-13(12)19-14(18)10-3-2-6-16-8-10/h2-8H,1H3.
What are the key properties of (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate?
(2-acetyl-4-fluorophenyl) pyridine-3-carboxylate has a molecular weight of 259.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-4-fluorophenyl) pyridine-3-carboxylate is sourced from PubChem (CID 139213841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).