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

C8H9F2NO3 — CID 118818107

IUPAC4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c(CO)c[nH]c1=O
InChIInChI=1S/C8H9F2NO3/c1-14-6-5(7(9)10)4(3-12)2-11-8(6)13/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeyZUWNNTCWMLFSAL-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.81
Rot. Bonds3

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

4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one (PubChem CID 118818107) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one
PubChem CID118818107
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c(CO)c[nH]c1=O
InChIInChI=1S/C8H9F2NO3/c1-14-6-5(7(9)10)4(3-12)2-11-8(6)13/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeyZUWNNTCWMLFSAL-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)-6-hydroxy-5-methoxynicotinic acid
CID 69704433
3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 154508416
4-(Difluoromethyl)-3-methoxy-5-methylpyridin-2-ol
CID 118806804
4-(Difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118812576
4-(Difluoromethyl)-5-(hydroxymethyl)pyridine-2,3-diol
CID 118840787
5-(difluoromethyl)-3-methoxy-4-methyl-1H-pyridin-2-one
CID 130083150
5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 130083210
4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 130083224
5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130083363
5-(difluoromethyl)-4-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one
CID 130083431
5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid
CID 130083499
5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092956

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one (CID 118818107) is 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one is COc1c(C(F)F)c(CO)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one?
The InChIKey is ZUWNNTCWMLFSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-14-6-5(7(9)10)4(3-12)2-11-8(6)13/h2,7,12H,3H2,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one?
4-(difluoromethyl)-5-(hydroxymethyl)-3-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 4-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118818107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).