1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one

C15H13ClFNO — CID 103042840

IUPAC1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
SMILESO=C(CCc1cccnc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO/c16-14-9-12(4-6-15(14)17)8-13(19)5-3-11-2-1-7-18-10-11/h1-2,4,6-7,9-10H,3,5,8H2
InChIKeyUALSOPWDFGCWNA-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.62
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one

1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one (PubChem CID 103042840) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
PubChem CID103042840
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
SMILESO=C(CCc1cccnc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO/c16-14-9-12(4-6-15(14)17)8-13(19)5-3-11-2-1-7-18-10-11/h1-2,4,6-7,9-10H,3,5,8H2
InChIKeyUALSOPWDFGCWNA-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-(3-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 105083823
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
1-[4-[(2-chlorophenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147492426
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
1-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147728755
1-[4-[(2-bromo-3-fluorophenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 148635975
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one (CID 103042840) is 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one is O=C(CCc1cccnc1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one?
The InChIKey is UALSOPWDFGCWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-14-9-12(4-6-15(14)17)8-13(19)5-3-11-2-1-7-18-10-11/h1-2,4,6-7,9-10H,3,5,8H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one?
1-(3-chloro-4-fluorophenyl)-4-pyridin-3-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-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 103042840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).