2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine

C20H17F2NO — CID 162398388

IUPAC2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine
SMILESCOc1ccc(C(F)(F)c2cc(-c3ccccn3)ccc2C)cc1
InChIInChI=1S/C20H17F2NO/c1-14-6-7-15(19-5-3-4-12-23-19)13-18(14)20(21,22)16-8-10-17(24-2)11-9-16/h3-13H,1-2H3
InChIKeyOTBSTPQYZGEQAZ-UHFFFAOYSA-N
MW325.36 g/mol
LogP5.21
Rot. Bonds4

About 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine

2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine (PubChem CID 162398388) has the molecular formula C20H17F2NO and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine
PubChem CID162398388
Molecular FormulaC20H17F2NO
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine
SMILESCOc1ccc(C(F)(F)c2cc(-c3ccccn3)ccc2C)cc1
InChIInChI=1S/C20H17F2NO/c1-14-6-7-15(19-5-3-4-12-23-19)13-18(14)20(21,22)16-8-10-17(24-2)11-9-16/h3-13H,1-2H3
InChIKeyOTBSTPQYZGEQAZ-UHFFFAOYSA-N
XLogP5.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.36
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bisacodyl
CID 2391
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
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-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049

Frequently Asked Questions

What is the IUPAC name of 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine?
The IUPAC name of 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine (CID 162398388) is 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine.
What is the SMILES notation for 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine?
The canonical SMILES for 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine is COc1ccc(C(F)(F)c2cc(-c3ccccn3)ccc2C)cc1.
What is the InChIKey of 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine?
The InChIKey is OTBSTPQYZGEQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO/c1-14-6-7-15(19-5-3-4-12-23-19)13-18(14)20(21,22)16-8-10-17(24-2)11-9-16/h3-13H,1-2H3.
What are the key properties of 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine?
2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine has a molecular weight of 325.36 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine is sourced from PubChem (CID 162398388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).