5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine

C10H7BrClNOS — CID 107781342

IUPAC5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine
SMILESCc1occc1Sc1ncc(Br)cc1Cl
InChIInChI=1S/C10H7BrClNOS/c1-6-9(2-3-14-6)15-10-8(12)4-7(11)5-13-10/h2-5H,1H3
InChIKeyNGRZJJLGMDJGIV-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.55
Rot. Bonds2

About 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine

5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine (PubChem CID 107781342) has the molecular formula C10H7BrClNOS and a molecular weight of 304.60 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine
PubChem CID107781342
Molecular FormulaC10H7BrClNOS
Molecular Weight304.60 g/mol
Exact Mass302.91
IUPAC Name5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine
SMILESCc1occc1Sc1ncc(Br)cc1Cl
InChIInChI=1S/C10H7BrClNOS/c1-6-9(2-3-14-6)15-10-8(12)4-7(11)5-13-10/h2-5H,1H3
InChIKeyNGRZJJLGMDJGIV-UHFFFAOYSA-N
XLogP4.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine?
The IUPAC name of 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine (CID 107781342) is 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine is Cc1occc1Sc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine?
The InChIKey is NGRZJJLGMDJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNOS/c1-6-9(2-3-14-6)15-10-8(12)4-7(11)5-13-10/h2-5H,1H3.
What are the key properties of 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine?
5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine has a molecular weight of 304.60 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine is sourced from PubChem (CID 107781342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).