2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone

C15H12Cl2FNO2 — CID 162404419

IUPAC2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone
SMILESCc1nc(C)c(Cl)c(OC(F)C(=O)c2ccccc2)c1Cl
InChIInChI=1S/C15H12Cl2FNO2/c1-8-11(16)14(12(17)9(2)19-8)21-15(18)13(20)10-6-4-3-5-7-10/h3-7,15H,1-2H3
InChIKeyRIPNHDDIPCLNJM-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.56
Rot. Bonds4

About 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone

2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone (PubChem CID 162404419) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone
PubChem CID162404419
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone
SMILESCc1nc(C)c(Cl)c(OC(F)C(=O)c2ccccc2)c1Cl
InChIInChI=1S/C15H12Cl2FNO2/c1-8-11(16)14(12(17)9(2)19-8)21-15(18)13(20)10-6-4-3-5-7-10/h3-7,15H,1-2H3
InChIKeyRIPNHDDIPCLNJM-UHFFFAOYSA-N
XLogP4.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzyloxy)-2,6-diacetylpyridine
CID 10801908
(5-Chloro-6-methoxypyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 67398819
(5-Chloro-6-methoxypyridin-2-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 67399200
Methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate
CID 154967911
1-[6-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]ethanone
CID 155784441
1-[6-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]-4-ethyl-2-pyridinyl]ethanone
CID 157923994
3-[4-[3-(4-Chloro-3-fluorophenoxy)-2-oxopropyl]cyclohexyl]-1-(6-methyl-2-pyridinyl)propan-1-one
CID 160662126
methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate
CID 164930206
1-(2-Fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone
CID 169303334
1-(5-Fluoro-6-methyl-4-phenylmethoxy-2-pyridinyl)ethanone
CID 176332573
1-[6-Acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone
CID 177246345
Benzoic acid 3,5-dichloro-2,6-dimethyl-4-pyridyl ester
CID 569567

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone?
The IUPAC name of 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone (CID 162404419) is 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone.
What is the SMILES notation for 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone?
The canonical SMILES for 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone is Cc1nc(C)c(Cl)c(OC(F)C(=O)c2ccccc2)c1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone?
The InChIKey is RIPNHDDIPCLNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c1-8-11(16)14(12(17)9(2)19-8)21-15(18)13(20)10-6-4-3-5-7-10/h3-7,15H,1-2H3.
What are the key properties of 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone?
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone has a molecular weight of 328.17 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone is sourced from PubChem (CID 162404419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).