4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride

C7H5BrClF2NO2S — CID 134669144

IUPAC4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cncc(C(F)F)c1CBr
InChIInChI=1S/C7H5BrClF2NO2S/c8-1-4-5(7(10)11)2-12-3-6(4)15(9,13)14/h2-3,7H,1H2
InChIKeyIYOWODYDLWWDIW-UHFFFAOYSA-N
MW320.54 g/mol
LogP2.84
Rot. Bonds3

About 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride

4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 134669144) has the molecular formula C7H5BrClF2NO2S and a molecular weight of 320.54 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID134669144
Molecular FormulaC7H5BrClF2NO2S
Molecular Weight320.54 g/mol
Exact Mass318.89
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cncc(C(F)F)c1CBr
InChIInChI=1S/C7H5BrClF2NO2S/c8-1-4-5(7(10)11)2-12-3-6(4)15(9,13)14/h2-3,7H,1H2
InChIKeyIYOWODYDLWWDIW-UHFFFAOYSA-N
XLogP2.84
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 52.84
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

4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine
CID 130095511
4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
CID 130096329
3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130096577
4-(difluoromethyl)isoquinoline-5-sulfonyl chloride
CID 118487990
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837901
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
2-amino-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094943
4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine
CID 130096727
2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride
CID 155943282

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride (CID 134669144) is 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cncc(C(F)F)c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is IYOWODYDLWWDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO2S/c8-1-4-5(7(10)11)2-12-3-6(4)15(9,13)14/h2-3,7H,1H2.
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 320.54 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(difluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134669144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).