5-bromo-2-(thian-4-yl)pyridine

C10H12BrNS — CID 155970460

IUPAC5-bromo-2-(thian-4-yl)pyridine
SMILESBrc1ccc(C2CCSCC2)nc1
InChIInChI=1S/C10H12BrNS/c11-9-1-2-10(12-7-9)8-3-5-13-6-4-8/h1-2,7-8H,3-6H2
InChIKeySZTSJRDFFMFRQJ-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.45
Rot. Bonds1

About 5-bromo-2-(thian-4-yl)pyridine

5-bromo-2-(thian-4-yl)pyridine (PubChem CID 155970460) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 5-bromo-2-(thian-4-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(thian-4-yl)pyridine
PubChem CID155970460
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name5-bromo-2-(thian-4-yl)pyridine
SMILESBrc1ccc(C2CCSCC2)nc1
InChIInChI=1S/C10H12BrNS/c11-9-1-2-10(12-7-9)8-3-5-13-6-4-8/h1-2,7-8H,3-6H2
InChIKeySZTSJRDFFMFRQJ-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-2-yl)-5-bromopyridine
CID 112693368
2-[(2S)-azetidin-2-yl]-5-bromopyridine
CID 131039507
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
3-(5-bromo-2-pyridinyl)cyclobutan-1-one
CID 146082553
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
2-bromo-5-(thian-4-yl)-1,3-oxazole
CID 115046264
5-bromo-2-(1,3-dioxol-2-yl)pyridine
CID 141192691
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol
CID 71086058
2-cyclopropyl-5-iodopyridine
CID 91162875

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(thian-4-yl)pyridine?
The IUPAC name of 5-bromo-2-(thian-4-yl)pyridine (CID 155970460) is 5-bromo-2-(thian-4-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(thian-4-yl)pyridine?
The canonical SMILES for 5-bromo-2-(thian-4-yl)pyridine is Brc1ccc(C2CCSCC2)nc1.
What is the InChIKey of 5-bromo-2-(thian-4-yl)pyridine?
The InChIKey is SZTSJRDFFMFRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c11-9-1-2-10(12-7-9)8-3-5-13-6-4-8/h1-2,7-8H,3-6H2.
What are the key properties of 5-bromo-2-(thian-4-yl)pyridine?
5-bromo-2-(thian-4-yl)pyridine has a molecular weight of 258.18 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(thian-4-yl)pyridine is sourced from PubChem (CID 155970460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).