2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone

C13H8Cl2FNO — CID 107307992

IUPAC2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)c1ccncc1F
InChIInChI=1S/C13H8Cl2FNO/c14-10-3-1-2-8(13(10)15)6-12(18)9-4-5-17-7-11(9)16/h1-5,7H,6H2
InChIKeyQEIBUJJEQXAOTA-UHFFFAOYSA-N
MW284.12 g/mol
LogP3.95
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone

2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone (PubChem CID 107307992) has the molecular formula C13H8Cl2FNO and a molecular weight of 284.12 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone
PubChem CID107307992
Molecular FormulaC13H8Cl2FNO
Molecular Weight284.12 g/mol
Exact Mass283.00
IUPAC Name2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)c1ccncc1F
InChIInChI=1S/C13H8Cl2FNO/c14-10-3-1-2-8(13(10)15)6-12(18)9-4-5-17-7-11(9)16/h1-5,7H,6H2
InChIKeyQEIBUJJEQXAOTA-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

N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-(2,3-dichlorophenyl)-1-pyrazin-2-ylethanone
CID 107307824
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
2-(4-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 115815728
2-(2-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 112653310
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone (CID 107307992) is 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone is O=C(Cc1cccc(Cl)c1Cl)c1ccncc1F.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone?
The InChIKey is QEIBUJJEQXAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO/c14-10-3-1-2-8(13(10)15)6-12(18)9-4-5-17-7-11(9)16/h1-5,7H,6H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone?
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-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-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 107307992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).