[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone

C20H15F2NO2 — CID 58068023

IUPAC[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccnc(-c2ccc(F)c(C(=O)c3ccc(C)cc3)c2F)c1
InChIInChI=1S/C20H15F2NO2/c1-12-3-5-13(6-4-12)20(24)18-16(21)8-7-15(19(18)22)17-11-14(25-2)9-10-23-17/h3-11H,1-2H3
InChIKeyHQYAKWIWAWQVPQ-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.57
Rot. Bonds4

About [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone

[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 58068023) has the molecular formula C20H15F2NO2 and a molecular weight of 339.34 g/mol. Its IUPAC name is [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone
PubChem CID58068023
Molecular FormulaC20H15F2NO2
Molecular Weight339.34 g/mol
Exact Mass339.11
IUPAC Name[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccnc(-c2ccc(F)c(C(=O)c3ccc(C)cc3)c2F)c1
InChIInChI=1S/C20H15F2NO2/c1-12-3-5-13(6-4-12)20(24)18-16(21)8-7-15(19(18)22)17-11-14(25-2)9-10-23-17/h3-11H,1-2H3
InChIKeyHQYAKWIWAWQVPQ-UHFFFAOYSA-N
XLogP4.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone (CID 58068023) is [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone is COc1ccnc(-c2ccc(F)c(C(=O)c3ccc(C)cc3)c2F)c1.
What is the InChIKey of [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is HQYAKWIWAWQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO2/c1-12-3-5-13(6-4-12)20(24)18-16(21)8-7-15(19(18)22)17-11-14(25-2)9-10-23-17/h3-11H,1-2H3.
What are the key properties of [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone?
[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 339.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 58068023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).