3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine

C16H11BrF3N3O2S — CID 10742004

IUPAC3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cncc(Br)c2)cc1
InChIInChI=1S/C16H11BrF3N3O2S/c1-26(24,25)13-4-2-12(3-5-13)23-9-14(16(18,19)20)22-15(23)10-6-11(17)8-21-7-10/h2-9H,1H3
InChIKeyOSTZIZHOZQIQLN-UHFFFAOYSA-N
MW446.25 g/mol
LogP4.12
Rot. Bonds3

About 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine

3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine (PubChem CID 10742004) has the molecular formula C16H11BrF3N3O2S and a molecular weight of 446.25 g/mol. Its IUPAC name is 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
PubChem CID10742004
Molecular FormulaC16H11BrF3N3O2S
Molecular Weight446.25 g/mol
Exact Mass444.97
IUPAC Name3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cncc(Br)c2)cc1
InChIInChI=1S/C16H11BrF3N3O2S/c1-26(24,25)13-4-2-12(3-5-13)23-9-14(16(18,19)20)22-15(23)10-6-11(17)8-21-7-10/h2-9H,1H3
InChIKeyOSTZIZHOZQIQLN-UHFFFAOYSA-N
XLogP4.12
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The IUPAC name of 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine (CID 10742004) is 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine is CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cncc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
The InChIKey is OSTZIZHOZQIQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N3O2S/c1-26(24,25)13-4-2-12(3-5-13)23-9-14(16(18,19)20)22-15(23)10-6-11(17)8-21-7-10/h2-9H,1H3.
What are the key properties of 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine?
3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine has a molecular weight of 446.25 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 10742004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).