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

C7H6ClF2NO2 — CID 118805447

IUPAC4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)c(Cl)c1C(F)F
InChIInChI=1S/C7H6ClF2NO2/c8-5-3(2-12)1-11-7(13)4(5)6(9)10/h1,6,12H,2H2,(H,11,13)
InChIKeyKEKCFQURYQCNBE-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.46
Rot. Bonds2

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

4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 118805447) has the molecular formula C7H6ClF2NO2 and a molecular weight of 209.58 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID118805447
Molecular FormulaC7H6ClF2NO2
Molecular Weight209.58 g/mol
Exact Mass209.01
IUPAC Name4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)c(Cl)c1C(F)F
InChIInChI=1S/C7H6ClF2NO2/c8-5-3(2-12)1-11-7(13)4(5)6(9)10/h1,6,12H,2H2,(H,11,13)
InChIKeyKEKCFQURYQCNBE-UHFFFAOYSA-N
XLogP1.46
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 118805447) is 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1[nH]cc(CO)c(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is KEKCFQURYQCNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2/c8-5-3(2-12)1-11-7(13)4(5)6(9)10/h1,6,12H,2H2,(H,11,13).
What are the key properties of 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 209.58 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118805447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).