4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one

C8H8ClF2NO — CID 177239516

IUPAC4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)cc(C(C)(F)F)[nH]c1=O
InChIInChI=1S/C8H8ClF2NO/c1-4-5(9)3-6(8(2,10)11)12-7(4)13/h3H,1-2H3,(H,12,13)
InChIKeyIRYFNYJYIGQQSG-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.45
Rot. Bonds1

About 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one

4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one (PubChem CID 177239516) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one
PubChem CID177239516
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)cc(C(C)(F)F)[nH]c1=O
InChIInChI=1S/C8H8ClF2NO/c1-4-5(9)3-6(8(2,10)11)12-7(4)13/h3H,1-2H3,(H,12,13)
InChIKeyIRYFNYJYIGQQSG-UHFFFAOYSA-N
XLogP2.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one (CID 177239516) is 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one is Cc1c(Cl)cc(C(C)(F)F)[nH]c1=O.
What is the InChIKey of 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is IRYFNYJYIGQQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-5(9)3-6(8(2,10)11)12-7(4)13/h3H,1-2H3,(H,12,13).
What are the key properties of 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one?
4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 207.61 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 177239516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).