3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine

C11H10BrNOS — CID 104922705

IUPAC3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
SMILESCc1occc1SCc1cncc(Br)c1
InChIInChI=1S/C11H10BrNOS/c1-8-11(2-3-14-8)15-7-9-4-10(12)6-13-5-9/h2-6H,7H2,1H3
InChIKeyYYNNNMNZSJNYGE-UHFFFAOYSA-N
MW284.18 g/mol
LogP4.04
Rot. Bonds3

About 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine

3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine (PubChem CID 104922705) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
PubChem CID104922705
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
SMILESCc1occc1SCc1cncc(Br)c1
InChIInChI=1S/C11H10BrNOS/c1-8-11(2-3-14-8)15-7-9-4-10(12)6-13-5-9/h2-6H,7H2,1H3
InChIKeyYYNNNMNZSJNYGE-UHFFFAOYSA-N
XLogP4.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 2823319
2-[(2-Furylmethyl)thio]-5-(trifluoromethyl)pyridine
CID 2780633
2-Fluoro-4-(furan-2-ylmethylsulfanyl)pyridine
CID 104032302
2-Fluoro-4-(2-methylfuran-3-yl)sulfanylpyridine
CID 107780839
5-Bromo-3-fluoro-2-(furan-2-ylmethylsulfanyl)pyridine
CID 108166335
5-Bromo-3-fluoro-2-(2-methylfuran-3-yl)sulfanylpyridine
CID 108166562
2-Fluoro-4-{[(3-methylfuran-2-yl)methyl]sulfanyl}pyridine
CID 165508841
[5-(Furan-2-ylmethylsulfanyl)-3-methyl-2-pyridinyl]methanol
CID 18689995
2-{[(2,5-Dimethylfuran-3-yl)sulfanyl]methyl}pyridine
CID 21503087
2-{[(2-Methylfuran-3-yl)sulfanyl]methyl}pyridine
CID 21503088
2,3-dimethyl-4-(2-furylmethylthio)pyridine N-oxide
CID 22460794
2-[(5-Methylfuran-2-yl)methylsulfanyl]pyridine
CID 23551624

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine?
The IUPAC name of 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine (CID 104922705) is 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine is Cc1occc1SCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine?
The InChIKey is YYNNNMNZSJNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-8-11(2-3-14-8)15-7-9-4-10(12)6-13-5-9/h2-6H,7H2,1H3.
What are the key properties of 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine?
3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine has a molecular weight of 284.18 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 104922705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).