chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate

C7H5Cl2NO4S — CID 174946745

IUPACchloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate
SMILESCc1ccnc(S(=O)(=O)Cl)c1C(=O)OCl
InChIInChI=1S/C7H5Cl2NO4S/c1-4-2-3-10-6(15(9,12)13)5(4)7(11)14-8/h2-3H,1H3
InChIKeyCYIOUNWSCZBYIA-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.63
Rot. Bonds2

About chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate

chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate (PubChem CID 174946745) has the molecular formula C7H5Cl2NO4S and a molecular weight of 270.09 g/mol. Its IUPAC name is chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namechloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate
PubChem CID174946745
Molecular FormulaC7H5Cl2NO4S
Molecular Weight270.09 g/mol
Exact Mass268.93
IUPAC Namechloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate
SMILESCc1ccnc(S(=O)(=O)Cl)c1C(=O)OCl
InChIInChI=1S/C7H5Cl2NO4S/c1-4-2-3-10-6(15(9,12)13)5(4)7(11)14-8/h2-3H,1H3
InChIKeyCYIOUNWSCZBYIA-UHFFFAOYSA-N
XLogP1.63
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
CID 167762348
3,4-dimethoxypyridine-2-sulfonyl chloride
CID 141469217
(2-chloro-4-methyl-3-pyridinyl) carbamate
CID 89310539
3-fluoro-4-methoxypyridine-2-sulfonyl chloride
CID 130785648
methyl 2-tert-butyl-4-methylpyridine-3-carboxylate
CID 118501840
1-(2,4-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one;hydrate
CID 142909262
3,4-dibromopyridine-2-sulfonyl chloride
CID 131008415
chloro 5-methylpyrimidine-2-carboxylate
CID 176556664
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
3-methylpyridine-2-sulfonic acid
CID 2762782
chloro 3,4-dimethylbenzoate
CID 174727966
4-chloro-2-methylpyridine-3-sulfonyl chloride
CID 151415584

Frequently Asked Questions

What is the IUPAC name of chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate?
The IUPAC name of chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate (CID 174946745) is chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate.
What is the SMILES notation for chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate?
The canonical SMILES for chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate is Cc1ccnc(S(=O)(=O)Cl)c1C(=O)OCl.
What is the InChIKey of chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate?
The InChIKey is CYIOUNWSCZBYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO4S/c1-4-2-3-10-6(15(9,12)13)5(4)7(11)14-8/h2-3H,1H3.
What are the key properties of chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate?
chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate has a molecular weight of 270.09 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 174946745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).