[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

C22H20FNO5 — CID 156583242

IUPAC[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccc(C)c(O)c3)ccc2F)cc(OC)c1OC
InChIInChI=1S/C22H20FNO5/c1-12-5-6-13(9-17(12)25)16-8-7-15(23)20(24-16)21(26)14-10-18(27-2)22(29-4)19(11-14)28-3/h5-11,25H,1-4H3
InChIKeyJZHPUOFRNWNYQR-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.16
Rot. Bonds6

About [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 156583242) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID156583242
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccc(C)c(O)c3)ccc2F)cc(OC)c1OC
InChIInChI=1S/C22H20FNO5/c1-12-5-6-13(9-17(12)25)16-8-7-15(23)20(24-16)21(26)14-10-18(27-2)22(29-4)19(11-14)28-3/h5-11,25H,1-4H3
InChIKeyJZHPUOFRNWNYQR-UHFFFAOYSA-N
XLogP4.16
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (CID 156583242) is [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccc(C)c(O)c3)ccc2F)cc(OC)c1OC.
What is the InChIKey of [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JZHPUOFRNWNYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c1-12-5-6-13(9-17(12)25)16-8-7-15(23)20(24-16)21(26)14-10-18(27-2)22(29-4)19(11-14)28-3/h5-11,25H,1-4H3.
What are the key properties of [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 397.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 156583242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).