(2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate

C7H8FNO4S — CID 177077603

IUPAC(2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate
SMILESCOc1ccc(OS(C)(=O)=O)c(F)n1
InChIInChI=1S/C7H8FNO4S/c1-12-6-4-3-5(7(8)9-6)13-14(2,10)11/h3-4H,1-2H3
InChIKeyGNHYGYRAFITDJW-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.57
Rot. Bonds3

About (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate

(2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate (PubChem CID 177077603) has the molecular formula C7H8FNO4S and a molecular weight of 221.21 g/mol. Its IUPAC name is (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate.

Molecular Properties

Compound Name(2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate
PubChem CID177077603
Molecular FormulaC7H8FNO4S
Molecular Weight221.21 g/mol
Exact Mass221.02
IUPAC Name(2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate
SMILESCOc1ccc(OS(C)(=O)=O)c(F)n1
InChIInChI=1S/C7H8FNO4S/c1-12-6-4-3-5(7(8)9-6)13-14(2,10)11/h3-4H,1-2H3
InChIKeyGNHYGYRAFITDJW-UHFFFAOYSA-N
XLogP0.57
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-6-methoxypyridine
CID 14296367
3-Fluoro-2,6-dimethoxypyridine
CID 130784380
6-Methoxypyridin-3-yl trifluoromethanesulfonate
CID 155128016
2-Fluoro-6-methoxypyridine-3-sulfonyl chloride
CID 55280579
2-Fluoro-6-iodo-3-methoxypyridine
CID 130883006
6-Fluoro-5-methoxypyridine-2-sulfonyl fluoride
CID 167729653
2-Fluoro-3-methoxy-6-methylpyridine
CID 74891139
2,3,6-Trimethoxypyridine
CID 71299130
N-Fluoro-3-methoxypyridinium Triflate
CID 14912311
3-Ethoxy-2-fluoro-6-iodopyridine
CID 20092135
6-Fluoro-2-iodo-3-methoxypyridine
CID 23078267
2,6-Difluoro-3-methoxypyridine
CID 23566571

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate?
The IUPAC name of (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate (CID 177077603) is (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate.
What is the SMILES notation for (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate?
The canonical SMILES for (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate is COc1ccc(OS(C)(=O)=O)c(F)n1.
What is the InChIKey of (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate?
The InChIKey is GNHYGYRAFITDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO4S/c1-12-6-4-3-5(7(8)9-6)13-14(2,10)11/h3-4H,1-2H3.
What are the key properties of (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate?
(2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate has a molecular weight of 221.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxy-3-pyridinyl) methanesulfonate is sourced from PubChem (CID 177077603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).