1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one

C14H11Cl2NO — CID 55096177

IUPAC1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
SMILESO=C(Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c15-13-4-3-10(8-14(13)16)6-12(18)7-11-2-1-5-17-9-11/h1-5,8-9H,6-7H2
InChIKeyFDXPJFGPQXWPBQ-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.74
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one

1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one (PubChem CID 55096177) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
PubChem CID55096177
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
SMILESO=C(Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c15-13-4-3-10(8-14(13)16)6-12(18)7-11-2-1-5-17-9-11/h1-5,8-9H,6-7H2
InChIKeyFDXPJFGPQXWPBQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 103042840
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
2-pyridin-3-ylacetyl chloride
CID 14697475
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878
1-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-3-pyridin-3-ylpropan-2-one
CID 161448969

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one (CID 55096177) is 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one is O=C(Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one?
The InChIKey is FDXPJFGPQXWPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-13-4-3-10(8-14(13)16)6-12(18)7-11-2-1-5-17-9-11/h1-5,8-9H,6-7H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one?
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one has a molecular weight of 280.15 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 55096177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).