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

C14H11ClFNO2 — CID 58148227

IUPAC1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone
SMILESCc1cc(CC(=O)c2ccncc2Cl)c(O)cc1F
InChIInChI=1S/C14H11ClFNO2/c1-8-4-9(13(18)6-12(8)16)5-14(19)10-2-3-17-7-11(10)15/h2-4,6-7,18H,5H2,1H3
InChIKeyAEWMSNZURQRLSM-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.31
Rot. Bonds3

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

1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone (PubChem CID 58148227) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone
PubChem CID58148227
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone
SMILESCc1cc(CC(=O)c2ccncc2Cl)c(O)cc1F
InChIInChI=1S/C14H11ClFNO2/c1-8-4-9(13(18)6-12(8)16)5-14(19)10-2-3-17-7-11(10)15/h2-4,6-7,18H,5H2,1H3
InChIKeyAEWMSNZURQRLSM-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

1-(2-Hydroxyphenyl)-3-(4-pyridinyl)-1-propanone
CID 44204990
(E)-1-(5-fluoro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5819759
(E)-1-(3-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 16304855
(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 5357374
(E)-1-(4-hydroxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one
CID 16380269
2-Hydroxy-5-(pyridin-3-yl)benzaldehyde
CID 13365800
3-Fluoro-2-hydroxy-5-(3-pyridinyl)benzaldehyde
CID 59599719
2-Hydroxy-5-(pyridin-4-yl)benzaldehyde
CID 135448365
CA standard inhibitor, 4
CID 131635675
(2-Hydroxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 85912661
(5-Chloro-2-hydroxyphenyl)-pyridin-3-ylmethanone
CID 15192418
1-(5-Chloro-2-hydroxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 252244

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone (CID 58148227) is 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone is Cc1cc(CC(=O)c2ccncc2Cl)c(O)cc1F.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone?
The InChIKey is AEWMSNZURQRLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-4-9(13(18)6-12(8)16)5-14(19)10-2-3-17-7-11(10)15/h2-4,6-7,18H,5H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone?
1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)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 1-(3-chloro-4-pyridinyl)-2-(4-fluoro-2-hydroxy-5-methylphenyl)ethanone is sourced from PubChem (CID 58148227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).