6-chlorosulfinyloxypyridine-3-carbonyl chloride

C6H3Cl2NO3S — CID 22961185

IUPAC6-chlorosulfinyloxypyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(OS(=O)Cl)nc1
InChIInChI=1S/C6H3Cl2NO3S/c7-6(10)4-1-2-5(9-3-4)12-13(8)11/h1-3H
InChIKeySBUIYYSEXGENSQ-UHFFFAOYSA-N
MW240.07 g/mol
LogP1.66
Rot. Bonds3

About 6-chlorosulfinyloxypyridine-3-carbonyl chloride

6-chlorosulfinyloxypyridine-3-carbonyl chloride (PubChem CID 22961185) has the molecular formula C6H3Cl2NO3S and a molecular weight of 240.07 g/mol. Its IUPAC name is 6-chlorosulfinyloxypyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-chlorosulfinyloxypyridine-3-carbonyl chloride
PubChem CID22961185
Molecular FormulaC6H3Cl2NO3S
Molecular Weight240.07 g/mol
Exact Mass238.92
IUPAC Name6-chlorosulfinyloxypyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(OS(=O)Cl)nc1
InChIInChI=1S/C6H3Cl2NO3S/c7-6(10)4-1-2-5(9-3-4)12-13(8)11/h1-3H
InChIKeySBUIYYSEXGENSQ-UHFFFAOYSA-N
XLogP1.66
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118826570
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
6-(2-fluorophenoxy)pyridine-3-carbonyl chloride
CID 23148937
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
6-(dimethylamino)pyridine-3-carbonyl chloride
CID 45081550
1-(6-chloro-3-pyridinyl)ethanone;1-(6-phenoxy-3-pyridinyl)ethanone
CID 161154288
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
6-methoxypyridine-3-carboxylate
CID 7060527
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
6-chloropyridine-3-carboxylate
CID 6933309
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445

Frequently Asked Questions

What is the IUPAC name of 6-chlorosulfinyloxypyridine-3-carbonyl chloride?
The IUPAC name of 6-chlorosulfinyloxypyridine-3-carbonyl chloride (CID 22961185) is 6-chlorosulfinyloxypyridine-3-carbonyl chloride.
What is the SMILES notation for 6-chlorosulfinyloxypyridine-3-carbonyl chloride?
The canonical SMILES for 6-chlorosulfinyloxypyridine-3-carbonyl chloride is O=C(Cl)c1ccc(OS(=O)Cl)nc1.
What is the InChIKey of 6-chlorosulfinyloxypyridine-3-carbonyl chloride?
The InChIKey is SBUIYYSEXGENSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO3S/c7-6(10)4-1-2-5(9-3-4)12-13(8)11/h1-3H.
What are the key properties of 6-chlorosulfinyloxypyridine-3-carbonyl chloride?
6-chlorosulfinyloxypyridine-3-carbonyl chloride has a molecular weight of 240.07 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorosulfinyloxypyridine-3-carbonyl chloride is sourced from PubChem (CID 22961185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).