6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one

C8H9F2NO — CID 174588156

IUPAC6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one
SMILESCCc1ccc(=O)[nH]c1C(F)F
InChIInChI=1S/C8H9F2NO/c1-2-5-3-4-6(12)11-7(5)8(9)10/h3-4,8H,2H2,1H3,(H,11,12)
InChIKeyKXDVUKDDPYMNDU-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.87
Rot. Bonds2

About 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one

6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one (PubChem CID 174588156) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one
PubChem CID174588156
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one
SMILESCCc1ccc(=O)[nH]c1C(F)F
InChIInChI=1S/C8H9F2NO/c1-2-5-3-4-6(12)11-7(5)8(9)10/h3-4,8H,2H2,1H3,(H,11,12)
InChIKeyKXDVUKDDPYMNDU-UHFFFAOYSA-N
XLogP1.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one (CID 174588156) is 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one is CCc1ccc(=O)[nH]c1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one?
The InChIKey is KXDVUKDDPYMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-2-5-3-4-6(12)11-7(5)8(9)10/h3-4,8H,2H2,1H3,(H,11,12).
What are the key properties of 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one?
6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one has a molecular weight of 173.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 174588156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).