2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine

C32H22BrF5N2 — CID 58620921

IUPAC2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine
SMILESCc1cc(C)c(C(c2cccc(-c3ccc(F)c(F)c3F)n2)c2cccc(-c3ccc(F)c(Br)c3F)n2)c(C)c1
InChIInChI=1S/C32H22BrF5N2/c1-16-14-17(2)27(18(3)15-16)28(25-8-4-6-23(39-25)19-10-12-21(34)29(33)30(19)36)26-9-5-7-24(40-26)20-11-13-22(35)32(38)31(20)37/h4-15,28H,1-3H3
InChIKeyMFLITZRRTVICLM-UHFFFAOYSA-N
MW609.44 g/mol
LogP9.37
Rot. Bonds5

About 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine

2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine (PubChem CID 58620921) has the molecular formula C32H22BrF5N2 and a molecular weight of 609.44 g/mol. Its IUPAC name is 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine.

Molecular Properties

Compound Name2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine
PubChem CID58620921
Molecular FormulaC32H22BrF5N2
Molecular Weight609.44 g/mol
Exact Mass608.09
IUPAC Name2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine
SMILESCc1cc(C)c(C(c2cccc(-c3ccc(F)c(F)c3F)n2)c2cccc(-c3ccc(F)c(Br)c3F)n2)c(C)c1
InChIInChI=1S/C32H22BrF5N2/c1-16-14-17(2)27(18(3)15-16)28(25-8-4-6-23(39-25)19-10-12-21(34)29(33)30(19)36)26-9-5-7-24(40-26)20-11-13-22(35)32(38)31(20)37/h4-15,28H,1-3H3
InChIKeyMFLITZRRTVICLM-UHFFFAOYSA-N
XLogP9.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.44
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[10-[2,6-Bis(trifluoromethyl)-4-pyridinyl]anthracen-9-yl]-2,6-bis(trifluoromethyl)pyridine
CID 132551112
7-Bromo-1-ethyl-6-fluoro-3-(2-methylphenyl)isoquinoline
CID 138974704
2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
4-(3-Bromophenyl)-2,6-diphenylpyridine
CID 3730816
3-Bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine
CID 20822452
2-(3-Bromo-phenyl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridine
CID 57468744
2-(3-Bromo-phenyl)-6-methyl-4-(4-trifluoromethyl-phenyl)-pyridine
CID 57468745
2-(3-Bromo-phenyl)-6-cyclopropyl-4-(4-trifluoromethyl-phenyl)-pyridine
CID 57468746
2-(3-Bromo-phenyl)-6-trifluoromethyl-4-(4-trifluoromethyl-phenyl)-pyridine
CID 57468795
2-(3-Bromo-phenyl)-6-ethyl-4-(4-trifluoromethyl-phenyl)-pyridine
CID 57468803
2-(3-Bromo-phenyl)-4-methyl-6-(4-trifluoromethyl-phenyl)-pyridine
CID 57468804
4-(4-Methylphenyl)-6-[3-[4-(4-methylphenyl)-6-phenyl-5-(trifluoromethyl)pyridin-2-yl]phenyl]-2-phenyl-3-(trifluoromethyl)pyridine
CID 57660353

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine?
The IUPAC name of 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine (CID 58620921) is 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine.
What is the SMILES notation for 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine?
The canonical SMILES for 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine is Cc1cc(C)c(C(c2cccc(-c3ccc(F)c(F)c3F)n2)c2cccc(-c3ccc(F)c(Br)c3F)n2)c(C)c1.
What is the InChIKey of 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine?
The InChIKey is MFLITZRRTVICLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22BrF5N2/c1-16-14-17(2)27(18(3)15-16)28(25-8-4-6-23(39-25)19-10-12-21(34)29(33)30(19)36)26-9-5-7-24(40-26)20-11-13-22(35)32(38)31(20)37/h4-15,28H,1-3H3.
What are the key properties of 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine?
2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine has a molecular weight of 609.44 g/mol, XLogP of 9.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine is sourced from PubChem (CID 58620921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).