4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine

C19H14BrF2N — CID 11291770

IUPAC4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)c(F)c(Br)c2F)cc1
InChIInChI=1S/C19H14BrF2N/c1-11-3-7-13(8-4-11)18-16(21)15(20)17(22)19(23-18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyMGAVNRCICHCMOK-UHFFFAOYSA-N
MW374.23 g/mol
LogP6.07
Rot. Bonds2

About 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine

4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine (PubChem CID 11291770) has the molecular formula C19H14BrF2N and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine.

Molecular Properties

Compound Name4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine
PubChem CID11291770
Molecular FormulaC19H14BrF2N
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)c(F)c(Br)c2F)cc1
InChIInChI=1S/C19H14BrF2N/c1-11-3-7-13(8-4-11)18-16(21)15(20)17(22)19(23-18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyMGAVNRCICHCMOK-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Diphenylpyridine
CID 72920
2-Methyl-4,6-diphenylpyridine
CID 618669
2,6-Bis(p-tolyl)pyridine
CID 84435
2-Bromo-6-phenylpyridine
CID 568679
2-Bromo-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 1871785
2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
2-Bromo-4-(3-fluoro-phenyl)-6-phenyl-nicotinonitrile
CID 1105833
2,6-Bis(4-fluorophenyl)pyridine
CID 11391493
4-Methyl-2,6-diphenylpyridine
CID 104526
3-Methyl-2,6-diphenylpyridine
CID 119971
2,6-Dimethyl-3,5-diphenylpyridine
CID 181759
2,4-Diphenyl-6-(trifluoromethyl)pyridine
CID 10859522

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine?
The IUPAC name of 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine (CID 11291770) is 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine.
What is the SMILES notation for 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine?
The canonical SMILES for 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine is Cc1ccc(-c2nc(-c3ccc(C)cc3)c(F)c(Br)c2F)cc1.
What is the InChIKey of 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine?
The InChIKey is MGAVNRCICHCMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF2N/c1-11-3-7-13(8-4-11)18-16(21)15(20)17(22)19(23-18)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine?
4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine has a molecular weight of 374.23 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine is sourced from PubChem (CID 11291770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).