(4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate

C13H10FNO3 — CID 166584237

IUPAC(4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate
SMILESCOc1cc(OC(=O)c2ccccn2)ccc1F
InChIInChI=1S/C13H10FNO3/c1-17-12-8-9(5-6-10(12)14)18-13(16)11-4-2-3-7-15-11/h2-8H,1H3
InChIKeyYNIUMSZFRLCRFR-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.45
Rot. Bonds3

About (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate

(4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate (PubChem CID 166584237) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate
PubChem CID166584237
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name(4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate
SMILESCOc1cc(OC(=O)c2ccccn2)ccc1F
InChIInChI=1S/C13H10FNO3/c1-17-12-8-9(5-6-10(12)14)18-13(16)11-4-2-3-7-15-11/h2-8H,1H3
InChIKeyYNIUMSZFRLCRFR-UHFFFAOYSA-N
XLogP2.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate?
The IUPAC name of (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate (CID 166584237) is (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate?
The canonical SMILES for (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate is COc1cc(OC(=O)c2ccccn2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate?
The InChIKey is YNIUMSZFRLCRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-17-12-8-9(5-6-10(12)14)18-13(16)11-4-2-3-7-15-11/h2-8H,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate?
(4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate has a molecular weight of 247.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl) pyridine-2-carboxylate is sourced from PubChem (CID 166584237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).