3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C12H6Cl2F3NO — CID 133092454

IUPAC3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-8-3-1-2-6(10(8)14)7-4-5-9(12(15,16)17)18-11(7)19/h1-5H,(H,18,19)
InChIKeyMVATWOGQEBRJGY-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.37
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 133092454) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID133092454
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-8-3-1-2-6(10(8)14)7-4-5-9(12(15,16)17)18-11(7)19/h1-5H,(H,18,19)
InChIKeyMVATWOGQEBRJGY-UHFFFAOYSA-N
XLogP4.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-6-trifluoromethyl-2(1H)-pyridone
CID 15457186
3-(2,3-Dichloro-4-fluorophenyl)pyrrole-2,5-dione
CID 54374492
3-(2,3-Dichlorophenyl)-1-(difluoromethoxy)pyrrole-2,5-dione
CID 70503289
3-(2,3-Dichlorophenyl)-1-fluoropyrrole-2,5-dione
CID 88016126
4-chloro-3-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 139797653
4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 139829449
3-(4-chlorophenyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 141960708
5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146296394
5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146296409
5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one
CID 146296416
5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one
CID 146296487
5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one
CID 146296514

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 133092454) is 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MVATWOGQEBRJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-8-3-1-2-6(10(8)14)7-4-5-9(12(15,16)17)18-11(7)19/h1-5H,(H,18,19).
What are the key properties of 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 308.09 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).