2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one

C7H5ClF3NO2 — CID 130882908

IUPAC2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1cc(=O)c(OC(F)(F)F)c(Cl)[nH]1
InChIInChI=1S/C7H5ClF3NO2/c1-3-2-4(13)5(6(8)12-3)14-7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyPAYCOPICPFMBQC-UHFFFAOYSA-N
MW227.57 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one

2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130882908) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130882908
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1cc(=O)c(OC(F)(F)F)c(Cl)[nH]1
InChIInChI=1S/C7H5ClF3NO2/c1-3-2-4(13)5(6(8)12-3)14-7(9,10)11/h2H,1H3,(H,12,13)
InChIKeyPAYCOPICPFMBQC-UHFFFAOYSA-N
XLogP2.24
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134658717
4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130093802
6-(fluoromethyl)-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111986
2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134659569
6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111993
6-fluoro-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131404456
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118832470
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661
8-chloro-6-iodo-2-methyl-1H-quinolin-4-one
CID 107607566
7-chloro-8-fluoro-2-methyl-1H-quinolin-4-one
CID 43667968
6-(chloromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 130882908) is 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is Cc1cc(=O)c(OC(F)(F)F)c(Cl)[nH]1.
What is the InChIKey of 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is PAYCOPICPFMBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c1-3-2-4(13)5(6(8)12-3)14-7(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 227.57 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130882908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).