5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine

C8H9BrFNS — CID 130139671

IUPAC5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine
SMILESCSCCc1cc(Br)cnc1F
InChIInChI=1S/C8H9BrFNS/c1-12-3-2-6-4-7(9)5-11-8(6)10/h4-5H,2-3H2,1H3
InChIKeyUFZALJNJWLTBPU-UHFFFAOYSA-N
MW250.14 g/mol
LogP2.89
Rot. Bonds3

About 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine

5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine (PubChem CID 130139671) has the molecular formula C8H9BrFNS and a molecular weight of 250.14 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine
PubChem CID130139671
Molecular FormulaC8H9BrFNS
Molecular Weight250.14 g/mol
Exact Mass248.96
IUPAC Name5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine
SMILESCSCCc1cc(Br)cnc1F
InChIInChI=1S/C8H9BrFNS/c1-12-3-2-6-4-7(9)5-11-8(6)10/h4-5H,2-3H2,1H3
InChIKeyUFZALJNJWLTBPU-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-Bromophenylsulfanyl)ethyl]pyridine
CID 761519
2,5-Dibromo-3-methylpyridine
CID 817680
3-Bromo-5-(trifluoromethyl)pyridine
CID 11127991
5-Bromo-2-fluoro-3-methylpyridine
CID 12056902
3-Bromo-5-(propan-2-yl)pyridine
CID 23436976
N-[(5-bromo-3-pyridinyl)methyl]-N-methylethanamine
CID 44302806
2-(5-bromo-3-pyridinyl)-N-ethyl-N-methylethanamine
CID 44403263
2-(6-bromo-3-pyridinyl)-N-ethyl-N-methylethanamine
CID 44403283
Cambridge id 5152058
CID 786787
3-Bromo-5-(3-methylthiophen-2-yl)pyridine
CID 11311338
3-Bromo-5-methylpyridine
CID 817713
5-Bromo-2-iodo-3-methylpyridine
CID 9966011

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine?
The IUPAC name of 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine (CID 130139671) is 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine.
What is the SMILES notation for 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine?
The canonical SMILES for 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine is CSCCc1cc(Br)cnc1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine?
The InChIKey is UFZALJNJWLTBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNS/c1-12-3-2-6-4-7(9)5-11-8(6)10/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine?
5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine has a molecular weight of 250.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-(2-methylsulfanylethyl)pyridine is sourced from PubChem (CID 130139671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).