1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one

C15H13ClFNO — CID 105082607

IUPAC1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one
SMILESO=C(CCc1ccccn1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFNO/c16-14-5-3-6-15(17)13(14)10-12(19)8-7-11-4-1-2-9-18-11/h1-6,9H,7-8,10H2
InChIKeyFUVBQAVCZPLOFS-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one

1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one (PubChem CID 105082607) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one
PubChem CID105082607
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one
SMILESO=C(CCc1ccccn1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFNO/c16-14-5-3-6-15(17)13(14)10-12(19)8-7-11-4-1-2-9-18-11/h1-6,9H,7-8,10H2
InChIKeyFUVBQAVCZPLOFS-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dipyridin-2-ylbutan-2-one
CID 105108067
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
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N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide
CID 71851042
4-(4-aminophenyl)-1-(2-chloro-6-fluorophenyl)butan-2-one
CID 116605403
1-(2-chloro-6-fluorophenyl)-5-methylhex-5-en-2-one
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CID 116549930
1-(2-chloro-6-fluorophenyl)-4-(dimethylamino)butan-2-one
CID 115345698
1-(2-chloro-6-fluorophenyl)-5-methylsulfonylpentan-2-one
CID 63192120
2-(2-chloro-6-fluorophenyl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 155503636
N-(2,6-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110389270
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
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CID 105090970

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one (CID 105082607) is 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one is O=C(CCc1ccccn1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one?
The InChIKey is FUVBQAVCZPLOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-14-5-3-6-15(17)13(14)10-12(19)8-7-11-4-1-2-9-18-11/h1-6,9H,7-8,10H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one?
1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one has a molecular weight of 277.73 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-4-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 105082607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).