2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone

C14H11ClFNO2 — CID 103042865

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
SMILESCOc1cnccc1C(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c1-19-14-8-17-5-4-10(14)13(18)7-9-2-3-12(16)11(15)6-9/h2-6,8H,7H2,1H3
InChIKeyXUEPUONRRXXIPM-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone (PubChem CID 103042865) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
PubChem CID103042865
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
SMILESCOc1cnccc1C(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c1-19-14-8-17-5-4-10(14)13(18)7-9-2-3-12(16)11(15)6-9/h2-6,8H,7H2,1H3
InChIKeyXUEPUONRRXXIPM-UHFFFAOYSA-N
XLogP3.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106865544
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106267638
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone (CID 103042865) is 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone is COc1cnccc1C(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The InChIKey is XUEPUONRRXXIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-19-14-8-17-5-4-10(14)13(18)7-9-2-3-12(16)11(15)6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone has a molecular weight of 279.70 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 103042865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).