2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone

C13H8Cl2FNO — CID 102617766

IUPAC2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1ccc(Cl)cn1
InChIInChI=1S/C13H8Cl2FNO/c14-9-1-4-12(17-7-9)13(18)6-8-5-10(16)2-3-11(8)15/h1-5,7H,6H2
InChIKeyBZLBHNOZAXRRCR-UHFFFAOYSA-N
MW284.12 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone

2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone (PubChem CID 102617766) has the molecular formula C13H8Cl2FNO and a molecular weight of 284.12 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
PubChem CID102617766
Molecular FormulaC13H8Cl2FNO
Molecular Weight284.12 g/mol
Exact Mass283.00
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1ccc(Cl)cn1
InChIInChI=1S/C13H8Cl2FNO/c14-9-1-4-12(17-7-9)13(18)6-8-5-10(16)2-3-11(8)15/h1-5,7H,6H2
InChIKeyBZLBHNOZAXRRCR-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

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Related Compounds

1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617798
2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 102622399
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone
CID 102617672
1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617586
2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride
CID 86346491
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone (CID 102617766) is 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone is O=C(Cc1cc(F)ccc1Cl)c1ccc(Cl)cn1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone?
The InChIKey is BZLBHNOZAXRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO/c14-9-1-4-12(17-7-9)13(18)6-8-5-10(16)2-3-11(8)15/h1-5,7H,6H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone?
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-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-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone is sourced from PubChem (CID 102617766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).