2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C15H11BrF3N3O2S — CID 146540995

IUPAC2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(Br)cc2S(C)(=O)=O)nc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C15H11BrF3N3O2S/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)25(2,23)24/h3-7H,1-2H3
InChIKeyQKTNTUDHICTLRO-UHFFFAOYSA-N
MW434.24 g/mol
LogP3.82
Rot. Bonds2

About 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 146540995) has the molecular formula C15H11BrF3N3O2S and a molecular weight of 434.24 g/mol. Its IUPAC name is 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID146540995
Molecular FormulaC15H11BrF3N3O2S
Molecular Weight434.24 g/mol
Exact Mass432.97
IUPAC Name2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(Br)cc2S(C)(=O)=O)nc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C15H11BrF3N3O2S/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)25(2,23)24/h3-7H,1-2H3
InChIKeyQKTNTUDHICTLRO-UHFFFAOYSA-N
XLogP3.82
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 146540995) is 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is Cn1c(-c2ccc(Br)cc2S(C)(=O)=O)nc2cc(C(F)(F)F)ncc21.
What is the InChIKey of 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is QKTNTUDHICTLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N3O2S/c1-22-11-7-20-13(15(17,18)19)6-10(11)21-14(22)9-4-3-8(16)5-12(9)25(2,23)24/h3-7H,1-2H3.
What are the key properties of 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 434.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 146540995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).