2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone

C13H9ClFNO — CID 114853626

IUPAC2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1cccnc1
InChIInChI=1S/C13H9ClFNO/c14-11-4-3-9(12(15)7-11)6-13(17)10-2-1-5-16-8-10/h1-5,7-8H,6H2
InChIKeyMTMMZQLYMYAYNU-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone

2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone (PubChem CID 114853626) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
PubChem CID114853626
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1cccnc1
InChIInChI=1S/C13H9ClFNO/c14-11-4-3-9(12(15)7-11)6-13(17)10-2-1-5-16-8-10/h1-5,7-8H,6H2
InChIKeyMTMMZQLYMYAYNU-UHFFFAOYSA-N
XLogP3.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105135626
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110416767
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
1-(5-bromothiophen-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 105135631
2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105135621

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone (CID 114853626) is 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone is O=C(Cc1ccc(Cl)cc1F)c1cccnc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone?
The InChIKey is MTMMZQLYMYAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-11-4-3-9(12(15)7-11)6-13(17)10-2-1-5-16-8-10/h1-5,7-8H,6H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone?
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone has a molecular weight of 249.67 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 114853626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).