(6-methyl-4-methylsulfonyl-2-pyridinyl) formate

C8H9NO4S — CID 162476562

IUPAC(6-methyl-4-methylsulfonyl-2-pyridinyl) formate
SMILESCc1cc(S(C)(=O)=O)cc(OC=O)n1
InChIInChI=1S/C8H9NO4S/c1-6-3-7(14(2,11)12)4-8(9-6)13-5-10/h3-5H,1-2H3
InChIKeyQMIGWINMMWBIHF-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.33
Rot. Bonds3

About (6-methyl-4-methylsulfonyl-2-pyridinyl) formate

(6-methyl-4-methylsulfonyl-2-pyridinyl) formate (PubChem CID 162476562) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is (6-methyl-4-methylsulfonyl-2-pyridinyl) formate.

Molecular Properties

Compound Name(6-methyl-4-methylsulfonyl-2-pyridinyl) formate
PubChem CID162476562
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name(6-methyl-4-methylsulfonyl-2-pyridinyl) formate
SMILESCc1cc(S(C)(=O)=O)cc(OC=O)n1
InChIInChI=1S/C8H9NO4S/c1-6-3-7(14(2,11)12)4-8(9-6)13-5-10/h3-5H,1-2H3
InChIKeyQMIGWINMMWBIHF-UHFFFAOYSA-N
XLogP0.33
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Benzenesulfonyl)-2-methoxy-4,6-dimethylpyridine
CID 1486629
6-Methoxy-2-methylpyridine-3-sulfonyl chloride
CID 116684756
2-Methoxy-6-(thiophen-2-ylsulfonylmethyl)pyridine
CID 99717016
3-Ethylsulfonyl-6-methoxy-2-(trifluoromethyl)pyridine
CID 156227443
2-[(2-Fluorophenyl)sulfonylmethyl]-6-methoxypyridine
CID 64715620
2-[(2-Fluorophenyl)sulfinylmethyl]-6-methoxypyridine
CID 64715846
2-[(4-Fluorophenyl)sulfinylmethyl]-6-methoxypyridine
CID 64716280
2-[(4-Fluorophenyl)sulfonylmethyl]-6-methoxypyridine
CID 64717112
2-Methoxy-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 72216574
2-Ethoxy-6-[(2-fluorophenyl)sulfonylmethyl]pyridine
CID 75502945
2-[(3-Fluorophenyl)sulfonylmethyl]-6-methoxypyridine
CID 80059516
2-[(3-Fluorophenyl)sulfinylmethyl]-6-methoxypyridine
CID 80059998

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-methylsulfonyl-2-pyridinyl) formate?
The IUPAC name of (6-methyl-4-methylsulfonyl-2-pyridinyl) formate (CID 162476562) is (6-methyl-4-methylsulfonyl-2-pyridinyl) formate.
What is the SMILES notation for (6-methyl-4-methylsulfonyl-2-pyridinyl) formate?
The canonical SMILES for (6-methyl-4-methylsulfonyl-2-pyridinyl) formate is Cc1cc(S(C)(=O)=O)cc(OC=O)n1.
What is the InChIKey of (6-methyl-4-methylsulfonyl-2-pyridinyl) formate?
The InChIKey is QMIGWINMMWBIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-6-3-7(14(2,11)12)4-8(9-6)13-5-10/h3-5H,1-2H3.
What are the key properties of (6-methyl-4-methylsulfonyl-2-pyridinyl) formate?
(6-methyl-4-methylsulfonyl-2-pyridinyl) formate has a molecular weight of 215.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-methylsulfonyl-2-pyridinyl) formate is sourced from PubChem (CID 162476562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).