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

C7H6F3NO — CID 20767660

IUPAC3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1c[nH]cc(C(F)(F)F)c1=O
InChIInChI=1S/C7H6F3NO/c1-4-2-11-3-5(6(4)12)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyNDWVJJXWHVSBRC-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.70
Rot. Bonds

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

3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 20767660) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID20767660
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1c[nH]cc(C(F)(F)F)c1=O
InChIInChI=1S/C7H6F3NO/c1-4-2-11-3-5(6(4)12)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyNDWVJJXWHVSBRC-UHFFFAOYSA-N
XLogP1.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one (CID 20767660) is 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one is Cc1c[nH]cc(C(F)(F)F)c1=O.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is NDWVJJXWHVSBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-4-2-11-3-5(6(4)12)7(8,9)10/h2-3H,1H3,(H,11,12).
What are the key properties of 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one?
3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 177.12 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 20767660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).