2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one

C13H11F2NO2 — CID 67282165

IUPAC2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]cc1OCc1ccccc1
InChIInChI=1S/C13H11F2NO2/c14-13(15)10-6-11(17)12(7-16-10)18-8-9-4-2-1-3-5-9/h1-7,13H,8H2,(H,16,17)
InChIKeyLQRBVDLVEBBSBP-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.89
Rot. Bonds4

About 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one

2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one (PubChem CID 67282165) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one
PubChem CID67282165
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]cc1OCc1ccccc1
InChIInChI=1S/C13H11F2NO2/c14-13(15)10-6-11(17)12(7-16-10)18-8-9-4-2-1-3-5-9/h1-7,13H,8H2,(H,16,17)
InChIKeyLQRBVDLVEBBSBP-UHFFFAOYSA-N
XLogP2.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(phenylmethoxy)-1H-pyridin-4-one
CID 54191068
5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
CID 161262115
4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one
CID 166675925
5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one
CID 15077302
N-(3,4-difluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442345
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
CID 82017868
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
5-[(4-fluorophenyl)methoxy]-N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 42442742
2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one
CID 82063819

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one (CID 67282165) is 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]cc1OCc1ccccc1.
What is the InChIKey of 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one?
The InChIKey is LQRBVDLVEBBSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c14-13(15)10-6-11(17)12(7-16-10)18-8-9-4-2-1-3-5-9/h1-7,13H,8H2,(H,16,17).
What are the key properties of 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one?
2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one has a molecular weight of 251.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-phenylmethoxy-1H-pyridin-4-one is sourced from PubChem (CID 67282165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).