2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine

C20H17F2NO2 — CID 162398389

IUPAC2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine
SMILESCOc1ccc(C(F)(F)c2ccc(OC)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C20H17F2NO2/c1-24-16-9-6-14(7-10-16)20(21,22)15-8-11-19(25-2)17(13-15)18-5-3-4-12-23-18/h3-13H,1-2H3
InChIKeyILKYHSJYXVGMBA-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.91
Rot. Bonds5

About 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine

2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine (PubChem CID 162398389) has the molecular formula C20H17F2NO2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine.

Molecular Properties

Compound Name2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine
PubChem CID162398389
Molecular FormulaC20H17F2NO2
Molecular Weight341.36 g/mol
Exact Mass341.12
IUPAC Name2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine
SMILESCOc1ccc(C(F)(F)c2ccc(OC)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C20H17F2NO2/c1-24-16-9-6-14(7-10-16)20(21,22)15-8-11-19(25-2)17(13-15)18-5-3-4-12-23-18/h3-13H,1-2H3
InChIKeyILKYHSJYXVGMBA-UHFFFAOYSA-N
XLogP4.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bisacodyl
CID 2391
(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Ro 31-6930
CID 3036546
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057

Frequently Asked Questions

What is the IUPAC name of 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine?
The IUPAC name of 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine (CID 162398389) is 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine.
What is the SMILES notation for 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine?
The canonical SMILES for 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine is COc1ccc(C(F)(F)c2ccc(OC)c(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine?
The InChIKey is ILKYHSJYXVGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2/c1-24-16-9-6-14(7-10-16)20(21,22)15-8-11-19(25-2)17(13-15)18-5-3-4-12-23-18/h3-13H,1-2H3.
What are the key properties of 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine?
2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine has a molecular weight of 341.36 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine is sourced from PubChem (CID 162398389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).