6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride

C8H4BrClF5NO2S — CID 118837901

IUPAC6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)c(CBr)nc1C(F)(F)F
InChIInChI=1S/C8H4BrClF5NO2S/c9-2-4-3(7(11)12)1-5(19(10,17)18)6(16-4)8(13,14)15/h1,7H,2H2
InChIKeySRVKIWDTCCOZTI-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.86
Rot. Bonds3

About 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride

6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 118837901) has the molecular formula C8H4BrClF5NO2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID118837901
Molecular FormulaC8H4BrClF5NO2S
Molecular Weight388.54 g/mol
Exact Mass386.88
IUPAC Name6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)c(CBr)nc1C(F)(F)F
InChIInChI=1S/C8H4BrClF5NO2S/c9-2-4-3(7(11)12)1-5(19(10,17)18)6(16-4)8(13,14)15/h1,7H,2H2
InChIKeySRVKIWDTCCOZTI-UHFFFAOYSA-N
XLogP3.86
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 118849387
2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134659331
2-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118855153
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118820982
6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084808
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130108459
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 134669144
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104127
3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine
CID 130087022

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 118837901) is 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)F)c(CBr)nc1C(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is SRVKIWDTCCOZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF5NO2S/c9-2-4-3(7(11)12)1-5(19(10,17)18)6(16-4)8(13,14)15/h1,7H,2H2.
What are the key properties of 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 388.54 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118837901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).