5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one

C8H5F6NO — CID 173378958

IUPAC5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c1-3-2-15-6(16)5(8(12,13)14)4(3)7(9,10)11/h2H,1H3,(H,15,16)
InChIKeyJAMNQWPKYOHNMY-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.72
Rot. Bonds

About 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one

5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 173378958) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one
PubChem CID173378958
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F6NO/c1-3-2-15-6(16)5(8(12,13)14)4(3)7(9,10)11/h2H,1H3,(H,15,16)
InChIKeyJAMNQWPKYOHNMY-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one (CID 173378958) is 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one is Cc1c[nH]c(=O)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JAMNQWPKYOHNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c1-3-2-15-6(16)5(8(12,13)14)4(3)7(9,10)11/h2H,1H3,(H,15,16).
What are the key properties of 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one?
5-methyl-3,4-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 5-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 173378958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).