3,5-difluoro-1-methylpyridin-2-one

C6H5F2NO — CID 66924543

IUPAC3,5-difluoro-1-methylpyridin-2-one
SMILESCn1cc(F)cc(F)c1=O
InChIInChI=1S/C6H5F2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChIKeyCBZDXMVBDGWIDR-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.66
Rot. Bonds

About 3,5-difluoro-1-methylpyridin-2-one

3,5-difluoro-1-methylpyridin-2-one (PubChem CID 66924543) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 3,5-difluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name3,5-difluoro-1-methylpyridin-2-one
PubChem CID66924543
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name3,5-difluoro-1-methylpyridin-2-one
SMILESCn1cc(F)cc(F)c1=O
InChIInChI=1S/C6H5F2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChIKeyCBZDXMVBDGWIDR-UHFFFAOYSA-N
XLogP0.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-methylpyridin-2-one?
The IUPAC name of 3,5-difluoro-1-methylpyridin-2-one (CID 66924543) is 3,5-difluoro-1-methylpyridin-2-one.
What is the SMILES notation for 3,5-difluoro-1-methylpyridin-2-one?
The canonical SMILES for 3,5-difluoro-1-methylpyridin-2-one is Cn1cc(F)cc(F)c1=O.
What is the InChIKey of 3,5-difluoro-1-methylpyridin-2-one?
The InChIKey is CBZDXMVBDGWIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3.
What are the key properties of 3,5-difluoro-1-methylpyridin-2-one?
3,5-difluoro-1-methylpyridin-2-one has a molecular weight of 145.11 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-methylpyridin-2-one is sourced from PubChem (CID 66924543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).