3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one

C8H9F2NO3 — CID 130083415

IUPAC3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(C(F)F)c1CO
InChIInChI=1S/C8H9F2NO3/c1-14-5-2-11-8(13)6(7(9)10)4(5)3-12/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeySDWTWCSLJFKABI-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.81
Rot. Bonds3

About 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one

3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one (PubChem CID 130083415) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
PubChem CID130083415
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(C(F)F)c1CO
InChIInChI=1S/C8H9F2NO3/c1-14-5-2-11-8(13)6(7(9)10)4(5)3-12/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeySDWTWCSLJFKABI-UHFFFAOYSA-N
XLogP0.81
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 118817883
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083413
3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085385
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083414
4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one
CID 118823181
3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
CID 133103145
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 118816283
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one (CID 130083415) is 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one is COc1c[nH]c(=O)c(C(F)F)c1CO.
What is the InChIKey of 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one?
The InChIKey is SDWTWCSLJFKABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-14-5-2-11-8(13)6(7(9)10)4(5)3-12/h2,7,12H,3H2,1H3,(H,11,13).
What are the key properties of 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one?
3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one has a molecular weight of 205.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130083415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).