1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one

C13H13FN2O2 — CID 100678682

IUPAC1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one
SMILESCCOc1cccc(Cn2cc(F)ccc2=O)n1
InChIInChI=1S/C13H13FN2O2/c1-2-18-12-5-3-4-11(15-12)9-16-8-10(14)6-7-13(16)17/h3-8H,2,9H2,1H3
InChIKeyPGCANKIFYDZEJA-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.83
Rot. Bonds4

About 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one

1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one (PubChem CID 100678682) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one
PubChem CID100678682
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one
SMILESCCOc1cccc(Cn2cc(F)ccc2=O)n1
InChIInChI=1S/C13H13FN2O2/c1-2-18-12-5-3-4-11(15-12)9-16-8-10(14)6-7-13(16)17/h3-8H,2,9H2,1H3
InChIKeyPGCANKIFYDZEJA-UHFFFAOYSA-N
XLogP1.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one (CID 100678682) is 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one is CCOc1cccc(Cn2cc(F)ccc2=O)n1.
What is the InChIKey of 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one?
The InChIKey is PGCANKIFYDZEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-18-12-5-3-4-11(15-12)9-16-8-10(14)6-7-13(16)17/h3-8H,2,9H2,1H3.
What are the key properties of 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one?
1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one has a molecular weight of 248.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2-pyridinyl)methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 100678682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).