1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone

C14H11ClFNO2 — CID 58148153

IUPAC1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone
SMILESCc1ccc(O)c(CC(=O)c2ccncc2Cl)c1F
InChIInChI=1S/C14H11ClFNO2/c1-8-2-3-12(18)10(14(8)16)6-13(19)9-4-5-17-7-11(9)15/h2-5,7,18H,6H2,1H3
InChIKeyMPGVCIJNHGSUHX-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.31
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone

1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone (PubChem CID 58148153) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone
PubChem CID58148153
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone
SMILESCc1ccc(O)c(CC(=O)c2ccncc2Cl)c1F
InChIInChI=1S/C14H11ClFNO2/c1-8-2-3-12(18)10(14(8)16)6-13(19)9-4-5-17-7-11(9)15/h2-5,7,18H,6H2,1H3
InChIKeyMPGVCIJNHGSUHX-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone (CID 58148153) is 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone is Cc1ccc(O)c(CC(=O)c2ccncc2Cl)c1F.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone?
The InChIKey is MPGVCIJNHGSUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-2-3-12(18)10(14(8)16)6-13(19)9-4-5-17-7-11(9)15/h2-5,7,18H,6H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone?
1-(3-chloro-4-pyridinyl)-2-(2-fluoro-6-hydroxy-3-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-(2-fluoro-6-hydroxy-3-methylphenyl)ethanone is sourced from PubChem (CID 58148153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).