3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine

C7H6BrF2NOS — CID 174864997

IUPAC3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine
SMILESCOc1ncccc1SC(F)(F)Br
InChIInChI=1S/C7H6BrF2NOS/c1-12-6-5(3-2-4-11-6)13-7(8,9)10/h2-4H,1H3
InChIKeyLGVZXKFMMDLXFI-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.13
Rot. Bonds3

About 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine

3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine (PubChem CID 174864997) has the molecular formula C7H6BrF2NOS and a molecular weight of 270.10 g/mol. Its IUPAC name is 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine.

Molecular Properties

Compound Name3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine
PubChem CID174864997
Molecular FormulaC7H6BrF2NOS
Molecular Weight270.10 g/mol
Exact Mass268.93
IUPAC Name3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine
SMILESCOc1ncccc1SC(F)(F)Br
InChIInChI=1S/C7H6BrF2NOS/c1-12-6-5(3-2-4-11-6)13-7(8,9)10/h2-4H,1H3
InChIKeyLGVZXKFMMDLXFI-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-3-(trifluoromethylsulfanyl)pyridine
CID 133057907
ditert-butyl-fluoro-(2-methoxy-3-pyridinyl)silane
CID 169256061
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095
2-methoxy-3-(trifluoromethylsulfonyl)pyridine
CID 67361134
1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142640
2-methoxypyridin-3-ol;hydrate
CID 132769884
3-(1-fluoroethoxy)-2-methoxypyridine
CID 131995138
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine
CID 43721790
4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 138620844
4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 138057760
N-(2-bromoethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107492358

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine?
The IUPAC name of 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine (CID 174864997) is 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine.
What is the SMILES notation for 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine?
The canonical SMILES for 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine is COc1ncccc1SC(F)(F)Br.
What is the InChIKey of 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine?
The InChIKey is LGVZXKFMMDLXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NOS/c1-12-6-5(3-2-4-11-6)13-7(8,9)10/h2-4H,1H3.
What are the key properties of 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine?
3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine has a molecular weight of 270.10 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine is sourced from PubChem (CID 174864997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).