1-methyl-5-(trifluoromethyl)pyridin-2-one

C7H6F3NO — CID 4534802

IUPAC1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C7H6F3NO/c1-11-4-5(7(8,9)10)2-3-6(11)12/h2-4H,1H3
InChIKeyGARXKEYFZZSFPC-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.40
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)pyridin-2-one

1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 4534802) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID4534802
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C7H6F3NO/c1-11-4-5(7(8,9)10)2-3-6(11)12/h2-4H,1H3
InChIKeyGARXKEYFZZSFPC-UHFFFAOYSA-N
XLogP1.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 4534802) is 1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyridin-2-one is Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is GARXKEYFZZSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-11-4-5(7(8,9)10)2-3-6(11)12/h2-4H,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)pyridin-2-one?
1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 177.12 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 4534802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).