4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine

C22H19BrF3N — CID 150373695

IUPAC4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine
SMILESCc1cc(CCCc2ccc(-c3ccc(Br)cc3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C22H19BrF3N/c1-15-13-16(11-12-27-15)3-2-4-18-5-6-19(14-21(18)22(24,25)26)17-7-9-20(23)10-8-17/h5-14H,2-4H2,1H3
InChIKeyGYGAWKXWGWESLS-UHFFFAOYSA-N
MW434.30 g/mol
LogP7.01
Rot. Bonds5

About 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine

4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine (PubChem CID 150373695) has the molecular formula C22H19BrF3N and a molecular weight of 434.30 g/mol. Its IUPAC name is 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine
PubChem CID150373695
Molecular FormulaC22H19BrF3N
Molecular Weight434.30 g/mol
Exact Mass433.07
IUPAC Name4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine
SMILESCc1cc(CCCc2ccc(-c3ccc(Br)cc3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C22H19BrF3N/c1-15-13-16(11-12-27-15)3-2-4-18-5-6-19(14-21(18)22(24,25)26)17-7-9-20(23)10-8-17/h5-14H,2-4H2,1H3
InChIKeyGYGAWKXWGWESLS-UHFFFAOYSA-N
XLogP7.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[6-(3,4-Difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033658
2-[(E)-2-(4-bromophenyl)ethenyl]-1-methylpyridinium
CID 5926345
(-)-Brompheniramine
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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine?
The IUPAC name of 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine (CID 150373695) is 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine.
What is the SMILES notation for 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine?
The canonical SMILES for 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine is Cc1cc(CCCc2ccc(-c3ccc(Br)cc3)cc2C(F)(F)F)ccn1.
What is the InChIKey of 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine?
The InChIKey is GYGAWKXWGWESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF3N/c1-15-13-16(11-12-27-15)3-2-4-18-5-6-19(14-21(18)22(24,25)26)17-7-9-20(23)10-8-17/h5-14H,2-4H2,1H3.
What are the key properties of 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine?
4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine has a molecular weight of 434.30 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-bromophenyl)-2-(trifluoromethyl)phenyl]propyl]-2-methylpyridine is sourced from PubChem (CID 150373695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).