6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride

C7H2BrClF2N2O2S — CID 130109159

IUPAC6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESN#Cc1cc(Br)nc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2BrClF2N2O2S/c8-4-1-3(2-12)6(16(9,14)15)5(13-4)7(10)11/h1,7H
InChIKeyNVGPTQNHUWKSGC-UHFFFAOYSA-N
MW331.53 g/mol
LogP2.58
Rot. Bonds2

About 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride

6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 130109159) has the molecular formula C7H2BrClF2N2O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID130109159
Molecular FormulaC7H2BrClF2N2O2S
Molecular Weight331.53 g/mol
Exact Mass329.87
IUPAC Name6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESN#Cc1cc(Br)nc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2BrClF2N2O2S/c8-4-1-3(2-12)6(16(9,14)15)5(13-4)7(10)11/h1,7H
InChIKeyNVGPTQNHUWKSGC-UHFFFAOYSA-N
XLogP2.58
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134677832
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480
6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130108796
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103729
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-sulfonyl chloride
CID 118799821
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130077780
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192
4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride
CID 118817447
6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 130069585
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
6-bromo-2-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108627

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride (CID 130109159) is 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride is N#Cc1cc(Br)nc(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is NVGPTQNHUWKSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2N2O2S/c8-4-1-3(2-12)6(16(9,14)15)5(13-4)7(10)11/h1,7H.
What are the key properties of 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride?
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 331.53 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 130109159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).