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

C14H11ClFNO — CID 66469634

IUPAC1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)c1c(F)cccc1Cl)c1ccncc1
InChIInChI=1S/C14H11ClFNO/c1-9(10-5-7-17-8-6-10)14(18)13-11(15)3-2-4-12(13)16/h2-9H,1H3
InChIKeyJFKDCRREINTPDZ-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.86
Rot. Bonds3

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

1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one (PubChem CID 66469634) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one
PubChem CID66469634
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)c1c(F)cccc1Cl)c1ccncc1
InChIInChI=1S/C14H11ClFNO/c1-9(10-5-7-17-8-6-10)14(18)13-11(15)3-2-4-12(13)16/h2-9H,1H3
InChIKeyJFKDCRREINTPDZ-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one
CID 66470642
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908809
1-(3-nitrophenyl)-2-pyridin-4-ylpropan-1-one
CID 66469823
3-(2-chloro-6-fluorophenyl)-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 61496663
2-bromo-1-(2-chlorophenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 11246306
1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one
CID 107957027
2-chloro-6-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700402
2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one (CID 66469634) is 1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one is CC(C(=O)c1c(F)cccc1Cl)c1ccncc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is JFKDCRREINTPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-9(10-5-7-17-8-6-10)14(18)13-11(15)3-2-4-12(13)16/h2-9H,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one?
1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 263.70 g/mol, XLogP of 3.86, 3 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)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 66469634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).