(5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate

C13H10FNO5 — CID 86776956

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccnc(F)c2)o1
InChIInChI=1S/C13H10FNO5/c1-18-13(17)10-3-2-9(20-10)7-19-12(16)8-4-5-15-11(14)6-8/h2-6H,7H2,1H3
InChIKeyWLFXIEIJCOVROX-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.96
Rot. Bonds4

About (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate (PubChem CID 86776956) has the molecular formula C13H10FNO5 and a molecular weight of 279.22 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate
PubChem CID86776956
Molecular FormulaC13H10FNO5
Molecular Weight279.22 g/mol
Exact Mass279.05
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccnc(F)c2)o1
InChIInChI=1S/C13H10FNO5/c1-18-13(17)10-3-2-9(20-10)7-19-12(16)8-4-5-15-11(14)6-8/h2-6H,7H2,1H3
InChIKeyWLFXIEIJCOVROX-UHFFFAOYSA-N
XLogP1.96
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate (CID 86776956) is (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate is COC(=O)c1ccc(COC(=O)c2ccnc(F)c2)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate?
The InChIKey is WLFXIEIJCOVROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO5/c1-18-13(17)10-3-2-9(20-10)7-19-12(16)8-4-5-15-11(14)6-8/h2-6H,7H2,1H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate has a molecular weight of 279.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 2-fluoropyridine-4-carboxylate is sourced from PubChem (CID 86776956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).