2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine

C20H18FN — CID 170284625

IUPAC2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine
SMILESCc1cnc(-c2ccc(C)c(-c3ccc(F)cc3)c2)cc1C
InChIInChI=1S/C20H18FN/c1-13-4-5-17(20-10-14(2)15(3)12-22-20)11-19(13)16-6-8-18(21)9-7-16/h4-12H,1-3H3
InChIKeyHBXBYKUDKODZNX-UHFFFAOYSA-N
MW291.37 g/mol
LogP5.48
Rot. Bonds2

About 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine

2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine (PubChem CID 170284625) has the molecular formula C20H18FN and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine
PubChem CID170284625
Molecular FormulaC20H18FN
Molecular Weight291.37 g/mol
Exact Mass291.14
IUPAC Name2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine
SMILESCc1cnc(-c2ccc(C)c(-c3ccc(F)cc3)c2)cc1C
InChIInChI=1S/C20H18FN/c1-13-4-5-17(20-10-14(2)15(3)12-22-20)11-19(13)16-6-8-18(21)9-7-16/h4-12H,1-3H3
InChIKeyHBXBYKUDKODZNX-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.37
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine
CID 170284626
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
CID 170284634
2-(2,5-dimethylphenyl)-4,5-dimethylpyridine
CID 166896824
2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134225954
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 138549634
2-fluoro-5-(4-fluorophenyl)-4-methylpyridine
CID 46312606
5-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
CID 70842748
4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
CID 59538629
2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine
CID 169299410
2-(3,5-dimethylphenyl)-4,5-dimethylpyridine
CID 129074691

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine (CID 170284625) is 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine is Cc1cnc(-c2ccc(C)c(-c3ccc(F)cc3)c2)cc1C.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine?
The InChIKey is HBXBYKUDKODZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN/c1-13-4-5-17(20-10-14(2)15(3)12-22-20)11-19(13)16-6-8-18(21)9-7-16/h4-12H,1-3H3.
What are the key properties of 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine?
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine has a molecular weight of 291.37 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine is sourced from PubChem (CID 170284625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).