5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine

C11H12BrN3O2S — CID 126507940

IUPAC5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine
SMILESCCS(=O)(=O)c1cc(Br)cnc1-c1nccn1C
InChIInChI=1S/C11H12BrN3O2S/c1-3-18(16,17)9-6-8(12)7-14-10(9)11-13-4-5-15(11)2/h4-7H,3H2,1-2H3
InChIKeyUUCWFYQTPSUMSZ-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.04
Rot. Bonds3

About 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine

5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine (PubChem CID 126507940) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine
PubChem CID126507940
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine
SMILESCCS(=O)(=O)c1cc(Br)cnc1-c1nccn1C
InChIInChI=1S/C11H12BrN3O2S/c1-3-18(16,17)9-6-8(12)7-14-10(9)11-13-4-5-15(11)2/h4-7H,3H2,1-2H3
InChIKeyUUCWFYQTPSUMSZ-UHFFFAOYSA-N
XLogP2.04
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-3-(1,1-difluoroethyl)-7-methylimidazo[4,5-c]pyridazine
CID 170041348
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-5-cyclopropyl-3,6-dimethylimidazo[4,5-c]pyridin-4-one
CID 170041474
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-3-methyl-5-(1,1,2,3,3-pentafluoropropoxy)pyrimidin-4-one
CID 175586928
7-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834140
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine
CID 152543543
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 155730506
2-[3-(2-ethylsulfonylphenyl)-4-fluorophenyl]-1-methylimidazole
CID 67981920
2-[2-ethylsulfonyl-6-(trifluoromethoxy)phenyl]-1-methylimidazole
CID 67981447
5-chloro-3-ethylsulfonyl-2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]pyridine
CID 152558181
4-[2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)hydrazinyl]-6-methylpyridine-3-carboxylic acid
CID 170041491
6-bromo-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine
CID 137378448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine?
The IUPAC name of 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine (CID 126507940) is 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine.
What is the SMILES notation for 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine?
The canonical SMILES for 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine is CCS(=O)(=O)c1cc(Br)cnc1-c1nccn1C.
What is the InChIKey of 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine?
The InChIKey is UUCWFYQTPSUMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-3-18(16,17)9-6-8(12)7-14-10(9)11-13-4-5-15(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine?
5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine has a molecular weight of 330.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine is sourced from PubChem (CID 126507940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).