3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one

C8H7ClF3NO — CID 164772432

IUPAC3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(Cl)c(=O)n1C
InChIInChI=1S/C8H7ClF3NO/c1-4-3-5(8(10,11)12)6(9)7(14)13(4)2/h3H,1-2H3
InChIKeyYZRLRZCEFZEGDJ-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.37
Rot. Bonds

About 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one

3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 164772432) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID164772432
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(Cl)c(=O)n1C
InChIInChI=1S/C8H7ClF3NO/c1-4-3-5(8(10,11)12)6(9)7(14)13(4)2/h3H,1-2H3
InChIKeyYZRLRZCEFZEGDJ-UHFFFAOYSA-N
XLogP2.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (CID 164772432) is 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)c(Cl)c(=O)n1C.
What is the InChIKey of 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is YZRLRZCEFZEGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-4-3-5(8(10,11)12)6(9)7(14)13(4)2/h3H,1-2H3.
What are the key properties of 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 225.60 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164772432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).