2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone

C14H11ClFNO2 — CID 114270306

IUPAC2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone
SMILESCOc1nccc(C(=O)Cc2cccc(Cl)c2)c1F
InChIInChI=1S/C14H11ClFNO2/c1-19-14-13(16)11(5-6-17-14)12(18)8-9-3-2-4-10(15)7-9/h2-7H,8H2,1H3
InChIKeyZOHLYPUMLHVUKQ-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone

2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone (PubChem CID 114270306) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone
PubChem CID114270306
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone
SMILESCOc1nccc(C(=O)Cc2cccc(Cl)c2)c1F
InChIInChI=1S/C14H11ClFNO2/c1-19-14-13(16)11(5-6-17-14)12(18)8-9-3-2-4-10(15)7-9/h2-7H,8H2,1H3
InChIKeyZOHLYPUMLHVUKQ-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-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 82808484
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
CID 105391554
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
CID 107122499

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone (CID 114270306) is 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone is COc1nccc(C(=O)Cc2cccc(Cl)c2)c1F.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone?
The InChIKey is ZOHLYPUMLHVUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-19-14-13(16)11(5-6-17-14)12(18)8-9-3-2-4-10(15)7-9/h2-7H,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone?
2-(3-chlorophenyl)-1-(3-fluoro-2-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-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 114270306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).