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

C7H6ClF2NO — CID 130072315

IUPAC3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]c(C(F)F)c(Cl)c1=O
InChIInChI=1S/C7H6ClF2NO/c1-3-2-11-5(7(9)10)4(8)6(3)12/h2,7H,1H3,(H,11,12)
InChIKeyXUTBTBZUELLSNK-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.27
Rot. Bonds1

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

3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one (PubChem CID 130072315) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one
PubChem CID130072315
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]c(C(F)F)c(Cl)c1=O
InChIInChI=1S/C7H6ClF2NO/c1-3-2-11-5(7(9)10)4(8)6(3)12/h2,7H,1H3,(H,11,12)
InChIKeyXUTBTBZUELLSNK-UHFFFAOYSA-N
XLogP2.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one (CID 130072315) is 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one is Cc1c[nH]c(C(F)F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one?
The InChIKey is XUTBTBZUELLSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-3-2-11-5(7(9)10)4(8)6(3)12/h2,7H,1H3,(H,11,12).
What are the key properties of 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one?
3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one has a molecular weight of 193.58 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 130072315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).