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

C10H10BrN3S — CID 71392356

IUPAC5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
SMILESCn1ccnc1CSc1ccc(Br)cn1
InChIInChI=1S/C10H10BrN3S/c1-14-5-4-12-9(14)7-15-10-3-2-8(11)6-13-10/h2-6H,7H2,1H3
InChIKeyOJVSEKAOFVHZLZ-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.87
Rot. Bonds3

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

5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine (PubChem CID 71392356) 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)methylsulfanyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
PubChem CID71392356
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
SMILESCn1ccnc1CSc1ccc(Br)cn1
InChIInChI=1S/C10H10BrN3S/c1-14-5-4-12-9(14)7-15-10-3-2-8(11)6-13-10/h2-6H,7H2,1H3
InChIKeyOJVSEKAOFVHZLZ-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

2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
CID 52662333
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
5-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
CID 115622303
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
2,5-bis[(1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 52662332
5-bromo-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridine
CID 47023498
2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
CID 11567222
2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
CID 43446269
3-[(1-methylimidazol-2-yl)methylsulfanyl]aniline
CID 79133511
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60694668
[2-[(5-bromo-2-pyridinyl)sulfanylmethyl]-4-pyridinyl]hydrazine
CID 79260412

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine?
The IUPAC name of 5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine (CID 71392356) is 5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine?
The canonical SMILES for 5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine is Cn1ccnc1CSc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine?
The InChIKey is OJVSEKAOFVHZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-14-5-4-12-9(14)7-15-10-3-2-8(11)6-13-10/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine?
5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]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)methylsulfanyl]pyridine is sourced from PubChem (CID 71392356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).