2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine

C7H6BrF2NS — CID 162523367

IUPAC2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine
SMILESCSc1cc(C(F)F)cc(Br)n1
InChIInChI=1S/C7H6BrF2NS/c1-12-6-3-4(7(9)10)2-5(8)11-6/h2-3,7H,1H3
InChIKeyHUFZXFBSAJXKIM-UHFFFAOYSA-N
MW254.10 g/mol
LogP3.50
Rot. Bonds2

About 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine

2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine (PubChem CID 162523367) has the molecular formula C7H6BrF2NS and a molecular weight of 254.10 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine
PubChem CID162523367
Molecular FormulaC7H6BrF2NS
Molecular Weight254.10 g/mol
Exact Mass252.94
IUPAC Name2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine
SMILESCSc1cc(C(F)F)cc(Br)n1
InChIInChI=1S/C7H6BrF2NS/c1-12-6-3-4(7(9)10)2-5(8)11-6/h2-3,7H,1H3
InChIKeyHUFZXFBSAJXKIM-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 53.50
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

2-bromo-6-methylsulfanylpyridin-4-amine
CID 162523324
4-bromo-2,6-bis(methylsulfanyl)pyrimidine
CID 102390666
[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118831489
2-bromo-6-methylsulfanylpyridine-4-carbonitrile
CID 162523304
6-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109276
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134682688
4,6-dibromo-2-(difluoromethyl)-3-fluoropyridine
CID 130098882
6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130109306
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
2,6-dibromo-4-chloro-3-(difluoromethyl)pyridine
CID 118834001
2-bromo-5-(difluoromethyl)-3-fluoropyridine
CID 119021158

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine?
The IUPAC name of 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine (CID 162523367) is 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine is CSc1cc(C(F)F)cc(Br)n1.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine?
The InChIKey is HUFZXFBSAJXKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NS/c1-12-6-3-4(7(9)10)2-5(8)11-6/h2-3,7H,1H3.
What are the key properties of 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine?
2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine has a molecular weight of 254.10 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine is sourced from PubChem (CID 162523367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).