6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one

C8H5F6NO — CID 173379019

IUPAC6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c1-3-6(8(12,13)14)4(7(9,10)11)2-5(16)15-3/h2H,1H3,(H,15,16)
InChIKeyHWDHZSAYMBSOET-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.72
Rot. Bonds

About 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one

6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 173379019) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one
PubChem CID173379019
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c1-3-6(8(12,13)14)4(7(9,10)11)2-5(16)15-3/h2H,1H3,(H,15,16)
InChIKeyHWDHZSAYMBSOET-UHFFFAOYSA-N
XLogP2.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-6-methyl-1H-pyridin-2-one
CID 10935260
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
5-Methyl-6-(trifluoromethyl)pyridin-2-ol
CID 58172802
6-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 59665145
5-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68204646
3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one
CID 87477737

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one (CID 173379019) is 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one is Cc1[nH]c(=O)cc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HWDHZSAYMBSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c1-3-6(8(12,13)14)4(7(9,10)11)2-5(16)15-3/h2H,1H3,(H,15,16).
What are the key properties of 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one?
6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 245.12 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 173379019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).