methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate

C11H14FNO4 — CID 178166201

IUPACmethyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CCOCCF)c1
InChIInChI=1S/C11H14FNO4/c1-16-11(15)9-2-3-10(14)13(8-9)5-7-17-6-4-12/h2-3,8H,4-7H2,1H3
InChIKeyIPSTZRBCHDOUNP-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.62
Rot. Bonds6

About methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate (PubChem CID 178166201) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate
PubChem CID178166201
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Namemethyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CCOCCF)c1
InChIInChI=1S/C11H14FNO4/c1-16-11(15)9-2-3-10(14)13(8-9)5-7-17-6-4-12/h2-3,8H,4-7H2,1H3
InChIKeyIPSTZRBCHDOUNP-UHFFFAOYSA-N
XLogP0.62
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 597449
CID 597449
CID 98785
CID 98785
CID 14837000
CID 14837000
CID 14837001
CID 14837001
CID 23049002
CID 23049002
CID 117609805
CID 117609805
CID 118430879
CID 118430879
CID 138039721
CID 138039721
CID 139512262
CID 139512262
CID 156525361
CID 156525361
CID 168030419
CID 168030419
CID 174271690
CID 174271690

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate (CID 178166201) is methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CCOCCF)c1.
What is the InChIKey of methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is IPSTZRBCHDOUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-16-11(15)9-2-3-10(14)13(8-9)5-7-17-6-4-12/h2-3,8H,4-7H2,1H3.
What are the key properties of methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 243.23 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-fluoroethoxy)ethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 178166201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).