3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine

C10H8BrNOS — CID 107781341

IUPAC3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine
SMILESCc1occc1Sc1ccncc1Br
InChIInChI=1S/C10H8BrNOS/c1-7-9(3-5-13-7)14-10-2-4-12-6-8(10)11/h2-6H,1H3
InChIKeyDTBZNHBJPMMBOH-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.90
Rot. Bonds2

About 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine

3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine (PubChem CID 107781341) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine.

Molecular Properties

Compound Name3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine
PubChem CID107781341
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine
SMILESCc1occc1Sc1ccncc1Br
InChIInChI=1S/C10H8BrNOS/c1-7-9(3-5-13-7)14-10-2-4-12-6-8(10)11/h2-6H,1H3
InChIKeyDTBZNHBJPMMBOH-UHFFFAOYSA-N
XLogP3.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924193
2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106924225
2-bromo-6-(2-methylfuran-3-yl)sulfanylbenzonitrile
CID 107780116
5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine
CID 107781342
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
CID 526624
2-[(3-bromo-4-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 104779064
4-(2-methylfuran-3-yl)sulfanylquinolin-8-amine
CID 107779503
3-bromo-4-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 104778992
2-[(3-bromo-4-pyridinyl)sulfanyl]benzoic acid
CID 104776612
4-[(3-bromo-4-pyridinyl)sulfanyl]naphthalen-1-ol
CID 104777738
4-bromo-6-(2-methylfuran-3-yl)sulfanyl-2-propan-2-ylpyrimidine
CID 107780843
1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 107783479

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine?
The IUPAC name of 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine (CID 107781341) is 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine.
What is the SMILES notation for 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine?
The canonical SMILES for 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine is Cc1occc1Sc1ccncc1Br.
What is the InChIKey of 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine?
The InChIKey is DTBZNHBJPMMBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c1-7-9(3-5-13-7)14-10-2-4-12-6-8(10)11/h2-6H,1H3.
What are the key properties of 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine?
3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine has a molecular weight of 270.15 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methylfuran-3-yl)sulfanylpyridine is sourced from PubChem (CID 107781341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).