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

C7H7F2NO3 — CID 118817515

IUPAC4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(O)c1C(F)F
InChIInChI=1S/C7H7F2NO3/c1-13-3-2-10-7(12)5(11)4(3)6(8)9/h2,6,11H,1H3,(H,10,12)
InChIKeyXESAITPXGOYCRR-UHFFFAOYSA-N
MW191.13 g/mol
LogP1.03
Rot. Bonds2

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

4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one (PubChem CID 118817515) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one
PubChem CID118817515
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c(O)c1C(F)F
InChIInChI=1S/C7H7F2NO3/c1-13-3-2-10-7(12)5(11)4(3)6(8)9/h2,6,11H,1H3,(H,10,12)
InChIKeyXESAITPXGOYCRR-UHFFFAOYSA-N
XLogP1.03
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Difluoromethyl)-5-fluoropyridine-2,3-diol
CID 118800597
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridin-2-ol
CID 118801175
4-(Difluoromethyl)-3,5-dimethoxypyridin-2-ol
CID 118806642
4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817367
4-(Difluoromethyl)-5-fluoro-3-methoxypyridin-2-ol
CID 118823997
4-(Difluoromethyl)-3-fluoro-5-methoxypyridin-2-ol
CID 118828921
4-(Difluoromethyl)pyridine-2,3,5-triol
CID 118829470
4-(Difluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridin-2-ol
CID 118851882
3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118993184
5-(difluoromethyl)-3-hydroxy-4-methoxy-1H-pyridin-2-one
CID 130100073
5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one
CID 130100079
4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one
CID 130100084

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one (CID 118817515) is 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one is COc1c[nH]c(=O)c(O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one?
The InChIKey is XESAITPXGOYCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c1-13-3-2-10-7(12)5(11)4(3)6(8)9/h2,6,11H,1H3,(H,10,12).
What are the key properties of 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one?
4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one has a molecular weight of 191.13 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118817515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).