6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

C8H6F5NO2 — CID 130085380

IUPAC6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)c(C(F)(F)F)cc1CO
InChIInChI=1S/C8H6F5NO2/c9-6(10)5-4(8(11,12)13)1-3(2-15)7(16)14-5/h1,6,15H,2H2,(H,14,16)
InChIKeyHFFOBLCBJVUPOC-UHFFFAOYSA-N
MW243.13 g/mol
LogP1.82
Rot. Bonds2

About 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130085380) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130085380
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)F)c(C(F)(F)F)cc1CO
InChIInChI=1S/C8H6F5NO2/c9-6(10)5-4(8(11,12)13)1-3(2-15)7(16)14-5/h1,6,15H,2H2,(H,14,16)
InChIKeyHFFOBLCBJVUPOC-UHFFFAOYSA-N
XLogP1.82
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-3-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 130082788
3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130104856
6-(hydroxymethyl)-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 139819993
2-(difluoromethyl)-3-(hydroxymethyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130085372
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102419
3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085385
methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133093512
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 118803664
ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate
CID 133103499
6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118854377
2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 133101825
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 130085380) is 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)F)c(C(F)(F)F)cc1CO.
What is the InChIKey of 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HFFOBLCBJVUPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-6(10)5-4(8(11,12)13)1-3(2-15)7(16)14-5/h1,6,15H,2H2,(H,14,16).
What are the key properties of 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 243.13 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130085380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).