5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one

C15H14Cl2N2O4 — CID 164765740

IUPAC5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn(C)c1=O
InChIInChI=1S/C15H14Cl2N2O4/c1-8(2)11-6-10(7-18(3)15(11)20)23-14-12(16)4-9(19(21)22)5-13(14)17/h4-8H,1-3H3
InChIKeyPIRGQBPWBKAILN-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.52
Rot. Bonds4

About 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one

5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 164765740) has the molecular formula C15H14Cl2N2O4 and a molecular weight of 357.19 g/mol. Its IUPAC name is 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
PubChem CID164765740
Molecular FormulaC15H14Cl2N2O4
Molecular Weight357.19 g/mol
Exact Mass356.03
IUPAC Name5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn(C)c1=O
InChIInChI=1S/C15H14Cl2N2O4/c1-8(2)11-6-10(7-18(3)15(11)20)23-14-12(16)4-9(19(21)22)5-13(14)17/h4-8H,1-3H3
InChIKeyPIRGQBPWBKAILN-UHFFFAOYSA-N
XLogP4.52
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
CID 164765728
2-(3-butan-2-yl-4-methoxyphenoxy)-1,3-dichloro-5-nitrobenzene
CID 25180784
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919
7-(2,6-dichloro-4-nitrophenoxy)-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 156693228
5-(2,6-dibromo-4-nitrophenoxy)-3-propan-2-yl-1H-pyridin-2-one
CID 172799506
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289
2-(2-bromo-4-methoxyphenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891273
(2,6-dichloro-4-nitrophenyl) hydrogen phosphate
CID 4205027
1,3-dichloro-2-[5-(chloromethyl)-2-methylphenoxy]-5-nitrobenzene
CID 105406068
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004
2-[2-(bromomethyl)phenoxy]-1,3-dichloro-5-nitrobenzene
CID 107088258

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one (CID 164765740) is 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one is CC(C)c1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn(C)c1=O.
What is the InChIKey of 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is PIRGQBPWBKAILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4/c1-8(2)11-6-10(7-18(3)15(11)20)23-14-12(16)4-9(19(21)22)5-13(14)17/h4-8H,1-3H3.
What are the key properties of 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one?
5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 357.19 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 164765740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).