5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one

C7H5ClF3NO — CID 90939917

IUPAC5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(Cl)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5ClF3NO/c1-3-2-4(8)5(7(9,10)11)12-6(3)13/h2H,1H3,(H,12,13)
InChIKeyCZLXSFHYEBSWKP-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.36
Rot. Bonds

About 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one

5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 90939917) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID90939917
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(Cl)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5ClF3NO/c1-3-2-4(8)5(7(9,10)11)12-6(3)13/h2H,1H3,(H,12,13)
InChIKeyCZLXSFHYEBSWKP-UHFFFAOYSA-N
XLogP2.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 90939917) is 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(Cl)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is CZLXSFHYEBSWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c1-3-2-4(8)5(7(9,10)11)12-6(3)13/h2H,1H3,(H,12,13).
What are the key properties of 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one?
5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 211.57 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 90939917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).