4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one

C11H8F2N2O2 — CID 58092312

IUPAC4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCc2ncc(F)cc2F)cc[nH]1
InChIInChI=1S/C11H8F2N2O2/c12-7-3-9(13)10(15-5-7)6-17-8-1-2-14-11(16)4-8/h1-5H,6H2,(H,14,16)
InChIKeyNKJBJEIBKVYRAP-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.63
Rot. Bonds3

About 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one

4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one (PubChem CID 58092312) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one
PubChem CID58092312
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCc2ncc(F)cc2F)cc[nH]1
InChIInChI=1S/C11H8F2N2O2/c12-7-3-9(13)10(15-5-7)6-17-8-1-2-14-11(16)4-8/h1-5H,6H2,(H,14,16)
InChIKeyNKJBJEIBKVYRAP-UHFFFAOYSA-N
XLogP1.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one?
The IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one (CID 58092312) is 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one?
The canonical SMILES for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one is O=c1cc(OCc2ncc(F)cc2F)cc[nH]1.
What is the InChIKey of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one?
The InChIKey is NKJBJEIBKVYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-7-3-9(13)10(15-5-7)6-17-8-1-2-14-11(16)4-8/h1-5H,6H2,(H,14,16).
What are the key properties of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one?
4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one has a molecular weight of 238.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 58092312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).