(2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate

C13H9F2NO3 — CID 119042908

IUPAC(2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate
SMILESCOc1cccc(F)c1OC(=O)c1ccncc1F
InChIInChI=1S/C13H9F2NO3/c1-18-11-4-2-3-9(14)12(11)19-13(17)8-5-6-16-7-10(8)15/h2-7H,1H3
InChIKeyIUSTTXPYKPMOHF-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.59
Rot. Bonds3

About (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate

(2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate (PubChem CID 119042908) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Name(2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate
PubChem CID119042908
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name(2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate
SMILESCOc1cccc(F)c1OC(=O)c1ccncc1F
InChIInChI=1S/C13H9F2NO3/c1-18-11-4-2-3-9(14)12(11)19-13(17)8-5-6-16-7-10(8)15/h2-7H,1H3
InChIKeyIUSTTXPYKPMOHF-UHFFFAOYSA-N
XLogP2.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.59
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-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate?
The IUPAC name of (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate (CID 119042908) is (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate.
What is the SMILES notation for (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate?
The canonical SMILES for (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate is COc1cccc(F)c1OC(=O)c1ccncc1F.
What is the InChIKey of (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate?
The InChIKey is IUSTTXPYKPMOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c1-18-11-4-2-3-9(14)12(11)19-13(17)8-5-6-16-7-10(8)15/h2-7H,1H3.
What are the key properties of (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate?
(2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate has a molecular weight of 265.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxyphenyl) 3-fluoropyridine-4-carboxylate is sourced from PubChem (CID 119042908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).