2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone

C13H8Cl2FNO — CID 114012626

IUPAC2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)c1ccc(Cl)nc1
InChIInChI=1S/C13H8Cl2FNO/c14-10-3-1-8(5-11(10)16)6-12(18)9-2-4-13(15)17-7-9/h1-5,7H,6H2
InChIKeyUIOULZPGGMJGEJ-UHFFFAOYSA-N
MW284.12 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone

2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone (PubChem CID 114012626) has the molecular formula C13H8Cl2FNO and a molecular weight of 284.12 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone
PubChem CID114012626
Molecular FormulaC13H8Cl2FNO
Molecular Weight284.12 g/mol
Exact Mass283.00
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)c1ccc(Cl)nc1
InChIInChI=1S/C13H8Cl2FNO/c14-10-3-1-8(5-11(10)16)6-12(18)9-2-4-13(15)17-7-9/h1-5,7H,6H2
InChIKeyUIOULZPGGMJGEJ-UHFFFAOYSA-N
XLogP3.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087
2-(4-chloro-3-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethanone
CID 107890599
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
4-[(4-chloro-3-fluorophenyl)methylsulfinyl]benzoic acid
CID 107885639
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
CID 107890839
3-(6-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 55267358
2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
CID 88879940
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone (CID 114012626) is 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone is O=C(Cc1ccc(Cl)c(F)c1)c1ccc(Cl)nc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone?
The InChIKey is UIOULZPGGMJGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO/c14-10-3-1-8(5-11(10)16)6-12(18)9-2-4-13(15)17-7-9/h1-5,7H,6H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone?
2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone has a molecular weight of 284.12 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone is sourced from PubChem (CID 114012626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).