6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one

C7H6ClF2NO — CID 10081320

IUPAC6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)Cl)[nH]c(=O)c1
InChIInChI=1S/C7H6ClF2NO/c1-4-2-5(7(8,9)10)11-6(12)3-4/h2-3H,1H3,(H,11,12)
InChIKeyJJTQLPYYYFUYLF-UHFFFAOYSA-N
MW193.58 g/mol
LogP1.97
Rot. Bonds1

About 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one

6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one (PubChem CID 10081320) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one
PubChem CID10081320
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)Cl)[nH]c(=O)c1
InChIInChI=1S/C7H6ClF2NO/c1-4-2-5(7(8,9)10)11-6(12)3-4/h2-3H,1H3,(H,11,12)
InChIKeyJJTQLPYYYFUYLF-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one (CID 10081320) is 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one is Cc1cc(C(F)(F)Cl)[nH]c(=O)c1.
What is the InChIKey of 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one?
The InChIKey is JJTQLPYYYFUYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-4-2-5(7(8,9)10)11-6(12)3-4/h2-3H,1H3,(H,11,12).
What are the key properties of 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one?
6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one has a molecular weight of 193.58 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 10081320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).