3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one

C14H12Cl2FNO — CID 176639887

IUPAC3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1cc(F)cc(-c2c[nH]c(=O)c(Cl)c2)c1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-7(2)10-4-9(17)5-11(13(10)16)8-3-12(15)14(19)18-6-8/h3-7H,1-2H3,(H,18,19)
InChIKeyFRXVUWZGXHUABA-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.61
Rot. Bonds2

About 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one

3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one (PubChem CID 176639887) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
PubChem CID176639887
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1cc(F)cc(-c2c[nH]c(=O)c(Cl)c2)c1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-7(2)10-4-9(17)5-11(13(10)16)8-3-12(15)14(19)18-6-8/h3-7H,1-2H3,(H,18,19)
InChIKeyFRXVUWZGXHUABA-UHFFFAOYSA-N
XLogP4.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 88670929
3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one
CID 168935010
5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
CID 176639899
5-(2-chloro-4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 83129780
5-(3-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 83130505
5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 105396351
5-(2-chloro-6-fluorophenyl)-1H-pyridin-2-one
CID 122200274
5-(2-chloro-4-fluorophenyl)-1H-pyridin-2-one
CID 122200275
5-(2-chloro-5-fluorophenyl)-1H-pyridin-2-one
CID 122200284
5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358469
5-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358473
3-fluoro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092239

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one (CID 176639887) is 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one is CC(C)c1cc(F)cc(-c2c[nH]c(=O)c(Cl)c2)c1Cl.
What is the InChIKey of 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one?
The InChIKey is FRXVUWZGXHUABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-7(2)10-4-9(17)5-11(13(10)16)8-3-12(15)14(19)18-6-8/h3-7H,1-2H3,(H,18,19).
What are the key properties of 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one?
3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one has a molecular weight of 300.16 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 176639887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).