3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C12H6Cl2F3NO — CID 70420044

IUPAC3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-8-4-6(12(15,16)17)5-9(14)10(8)7-2-1-3-18-11(7)19/h1-5H,(H,18,19)
InChIKeyDYTVGZPGYCFHNV-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.37
Rot. Bonds1

About 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one

3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 70420044) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID70420044
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-8-4-6(12(15,16)17)5-9(14)10(8)7-2-1-3-18-11(7)19/h1-5H,(H,18,19)
InChIKeyDYTVGZPGYCFHNV-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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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 70420044) is 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1[nH]cccc1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is DYTVGZPGYCFHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-8-4-6(12(15,16)17)5-9(14)10(8)7-2-1-3-18-11(7)19/h1-5H,(H,18,19).
What are the key properties of 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-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-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 70420044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).