methyl 5-chlorosulfonylpyridine-2-carboxylate

C7H6ClNO4S — CID 55279599

IUPACmethyl 5-chlorosulfonylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C7H6ClNO4S/c1-13-7(10)6-3-2-5(4-9-6)14(8,11)12/h2-4H,1H3
InChIKeyKNWRLXXUWDOFIN-UHFFFAOYSA-N
MW235.65 g/mol
LogP0.80
Rot. Bonds2

About methyl 5-chlorosulfonylpyridine-2-carboxylate

methyl 5-chlorosulfonylpyridine-2-carboxylate (PubChem CID 55279599) has the molecular formula C7H6ClNO4S and a molecular weight of 235.65 g/mol. Its IUPAC name is methyl 5-chlorosulfonylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chlorosulfonylpyridine-2-carboxylate
PubChem CID55279599
Molecular FormulaC7H6ClNO4S
Molecular Weight235.65 g/mol
Exact Mass234.97
IUPAC Namemethyl 5-chlorosulfonylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C7H6ClNO4S/c1-13-7(10)6-3-2-5(4-9-6)14(8,11)12/h2-4H,1H3
InChIKeyKNWRLXXUWDOFIN-UHFFFAOYSA-N
XLogP0.80
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-bromopyridine-2-carboxylate
CID 7016458
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 6-chlorosulfonylpyrazine-2-carboxylate
CID 66456417
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
sodium 6-methoxycarbonylpyridine-3-sulfinate
CID 139269820
methyl 5-ethynylpyridine-2-carboxylate
CID 568567
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
methyl 4-chlorosulfonyl-2-methylbenzoate
CID 54594899

Frequently Asked Questions

What is the IUPAC name of methyl 5-chlorosulfonylpyridine-2-carboxylate?
The IUPAC name of methyl 5-chlorosulfonylpyridine-2-carboxylate (CID 55279599) is methyl 5-chlorosulfonylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chlorosulfonylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-chlorosulfonylpyridine-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of methyl 5-chlorosulfonylpyridine-2-carboxylate?
The InChIKey is KNWRLXXUWDOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO4S/c1-13-7(10)6-3-2-5(4-9-6)14(8,11)12/h2-4H,1H3.
What are the key properties of methyl 5-chlorosulfonylpyridine-2-carboxylate?
methyl 5-chlorosulfonylpyridine-2-carboxylate has a molecular weight of 235.65 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chlorosulfonylpyridine-2-carboxylate is sourced from PubChem (CID 55279599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).