4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one

C11H9FN2O2 — CID 66873163

IUPAC4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCc2ncccc2F)cc[nH]1
InChIInChI=1S/C11H9FN2O2/c12-9-2-1-4-13-10(9)7-16-8-3-5-14-11(15)6-8/h1-6H,7H2,(H,14,15)
InChIKeyCHIXHQFBGJJWLD-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.49
Rot. Bonds3

About 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one

4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one (PubChem CID 66873163) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one
PubChem CID66873163
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCc2ncccc2F)cc[nH]1
InChIInChI=1S/C11H9FN2O2/c12-9-2-1-4-13-10(9)7-16-8-3-5-14-11(15)6-8/h1-6H,7H2,(H,14,15)
InChIKeyCHIXHQFBGJJWLD-UHFFFAOYSA-N
XLogP1.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one (CID 66873163) is 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one is O=c1cc(OCc2ncccc2F)cc[nH]1.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one?
The InChIKey is CHIXHQFBGJJWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-2-1-4-13-10(9)7-16-8-3-5-14-11(15)6-8/h1-6H,7H2,(H,14,15).
What are the key properties of 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one?
4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one has a molecular weight of 220.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 66873163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).