5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine

C10H10BrN3S — CID 115622303

IUPAC5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
SMILESCn1ccnc1SCc1ccc(Br)cn1
InChIInChI=1S/C10H10BrN3S/c1-14-5-4-12-10(14)15-7-9-3-2-8(11)6-13-9/h2-6H,7H2,1H3
InChIKeyUSYTXQSFFUOKKB-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine

5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine (PubChem CID 115622303) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
PubChem CID115622303
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
SMILESCn1ccnc1SCc1ccc(Br)cn1
InChIInChI=1S/C10H10BrN3S/c1-14-5-4-12-10(14)15-7-9-3-2-8(11)6-13-9/h2-6H,7H2,1H3
InChIKeyUSYTXQSFFUOKKB-UHFFFAOYSA-N
XLogP2.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
CID 115622309
5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
CID 71392356
3-[(5-bromo-2-pyridinyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 115622316
2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 113454341
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882087
[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232113
2-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylimidazole
CID 19727760
1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
CID 5063073
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 43530165
5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 115622292
1-methyl-2-[4-(1-methylimidazol-2-yl)sulfanylbut-2-ynylsulfanyl]imidazole
CID 11837105
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 4171231

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine?
The IUPAC name of 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine (CID 115622303) is 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine is Cn1ccnc1SCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine?
The InChIKey is USYTXQSFFUOKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-14-5-4-12-10(14)15-7-9-3-2-8(11)6-13-9/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine?
5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine has a molecular weight of 284.18 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 115622303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).