(4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone

C20H15F2NO3 — CID 134136241

IUPAC(4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)c3ccc(F)c(OC)c3)nc2)cc1F
InChIInChI=1S/C20H15F2NO3/c1-25-18-8-5-12(9-16(18)22)14-4-7-17(23-11-14)20(24)13-3-6-15(21)19(10-13)26-2/h3-11H,1-2H3
InChIKeyIBYQLSDAWWWXGV-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.28
Rot. Bonds5

About (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone

(4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone (PubChem CID 134136241) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone
PubChem CID134136241
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name(4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)c3ccc(F)c(OC)c3)nc2)cc1F
InChIInChI=1S/C20H15F2NO3/c1-25-18-8-5-12(9-16(18)22)14-4-7-17(23-11-14)20(24)13-3-6-15(21)19(10-13)26-2/h3-11H,1-2H3
InChIKeyIBYQLSDAWWWXGV-UHFFFAOYSA-N
XLogP4.28
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone (CID 134136241) is (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone is COc1ccc(-c2ccc(C(=O)c3ccc(F)c(OC)c3)nc2)cc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone?
The InChIKey is IBYQLSDAWWWXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c1-25-18-8-5-12(9-16(18)22)14-4-7-17(23-11-14)20(24)13-3-6-15(21)19(10-13)26-2/h3-11H,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone?
(4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone has a molecular weight of 355.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-[5-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 134136241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).