2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone

C14H11ClFNO2 — CID 58148225

IUPAC2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone
SMILESCc1cc(CC(=O)c2ccncc2F)c(O)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-8-4-9(13(18)6-11(8)15)5-14(19)10-2-3-17-7-12(10)16/h2-4,6-7,18H,5H2,1H3
InChIKeyVKNGARGZTZCCOC-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone

2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone (PubChem CID 58148225) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone
PubChem CID58148225
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone
SMILESCc1cc(CC(=O)c2ccncc2F)c(O)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-8-4-9(13(18)6-11(8)15)5-14(19)10-2-3-17-7-12(10)16/h2-4,6-7,18H,5H2,1H3
InChIKeyVKNGARGZTZCCOC-UHFFFAOYSA-N
XLogP3.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 5357374
Methanone,(5-ethyl-2-hydroxyphenyl)-4-pyridinyl-
CID 13838798
(E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 127048965
1-(5-Chloro-2-hydroxyphenyl)-3-(3-pyridyl)prop-2-en-1-one
CID 5357219
4-(5-Fluoro-2-hydroxybenzoyl)pyridine
CID 83393117
(4-Chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone
CID 19701611
1-(3-Chloro-4-pyridinyl)-2-[2-hydroxy-5-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanone
CID 58148116
2-(2-Hydroxy-5-methylphenyl)-1-[3-(trifluoromethyl)-4-pyridinyl]ethanone
CID 58148138
2-(5-Tert-butyl-2-hydroxyphenyl)-1-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]ethanone
CID 58148141
1-(3-Chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone
CID 58148153
1-(3-Chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone
CID 58148227
1-(3-Fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone
CID 58148234

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone?
The IUPAC name of 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone (CID 58148225) is 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone?
The canonical SMILES for 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone is Cc1cc(CC(=O)c2ccncc2F)c(O)cc1Cl.
What is the InChIKey of 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone?
The InChIKey is VKNGARGZTZCCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-4-9(13(18)6-11(8)15)5-14(19)10-2-3-17-7-12(10)16/h2-4,6-7,18H,5H2,1H3.
What are the key properties of 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone?
2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone has a molecular weight of 279.70 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-hydroxy-5-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 58148225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).