6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C8H4Cl2F5NO3S — CID 134671081

IUPAC6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(CCl)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H4Cl2F5NO3S/c9-2-4-5(19-8(13,14)15)1-3(6(11)12)7(16-4)20(10,17)18/h1,6H,2H2
InChIKeyXGMCOHIOYXXEQD-UHFFFAOYSA-N
MW360.09 g/mol
LogP3.58
Rot. Bonds4

About 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride

6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 134671081) has the molecular formula C8H4Cl2F5NO3S and a molecular weight of 360.09 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID134671081
Molecular FormulaC8H4Cl2F5NO3S
Molecular Weight360.09 g/mol
Exact Mass358.92
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(CCl)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H4Cl2F5NO3S/c9-2-4-5(19-8(13,14)15)1-3(6(11)12)7(16-4)20(10,17)18/h1,6H,2H2
InChIKeyXGMCOHIOYXXEQD-UHFFFAOYSA-N
XLogP3.58
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.09
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663474
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069001
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
2-[6-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670662
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
CID 134679264
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
6-(chloromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826840
2-[6-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670663
6-amino-5-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103054
6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 118804467

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 134671081) is 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1nc(CCl)c(OC(F)(F)F)cc1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is XGMCOHIOYXXEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F5NO3S/c9-2-4-5(19-8(13,14)15)1-3(6(11)12)7(16-4)20(10,17)18/h1,6H,2H2.
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 360.09 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 134671081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).