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

C8H5F6NO — CID 71737237

IUPAC1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O
InChIInChI=1S/C8H5F6NO/c1-15-3-4(7(9,10)11)2-5(6(15)16)8(12,13)14/h2-3H,1H3
InChIKeyFRVKYHINCSJCTI-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.42
Rot. Bonds

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

1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one (PubChem CID 71737237) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one
PubChem CID71737237
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O
InChIInChI=1S/C8H5F6NO/c1-15-3-4(7(9,10)11)2-5(6(15)16)8(12,13)14/h2-3H,1H3
InChIKeyFRVKYHINCSJCTI-UHFFFAOYSA-N
XLogP2.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one (CID 71737237) is 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one is Cn1cc(C(F)(F)F)cc(C(F)(F)F)c1=O.
What is the InChIKey of 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one?
The InChIKey is FRVKYHINCSJCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c1-15-3-4(7(9,10)11)2-5(6(15)16)8(12,13)14/h2-3H,1H3.
What are the key properties of 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one?
1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one has a molecular weight of 245.12 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 71737237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).