3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride

C7H2ClF2IN2O2S — CID 130077780

IUPAC3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
SMILESN#Cc1cc(I)c(C(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H2ClF2IN2O2S/c8-16(14,15)7-3(2-12)1-4(11)5(13-7)6(9)10/h1,6H
InChIKeyAMHUOBDMEKVCLZ-UHFFFAOYSA-N
MW378.53 g/mol
LogP2.42
Rot. Bonds2

About 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride

3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride (PubChem CID 130077780) has the molecular formula C7H2ClF2IN2O2S and a molecular weight of 378.53 g/mol. Its IUPAC name is 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
PubChem CID130077780
Molecular FormulaC7H2ClF2IN2O2S
Molecular Weight378.53 g/mol
Exact Mass377.85
IUPAC Name3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
SMILESN#Cc1cc(I)c(C(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H2ClF2IN2O2S/c8-16(14,15)7-3(2-12)1-4(11)5(13-7)6(9)10/h1,6H
InChIKeyAMHUOBDMEKVCLZ-UHFFFAOYSA-N
XLogP2.42
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
CID 130077820
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103729
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130109159
6-cyano-4-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 130077741
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192
4-cyano-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118811093
3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130099148
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The IUPAC name of 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride (CID 130077780) is 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The canonical SMILES for 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride is N#Cc1cc(I)c(C(F)F)nc1S(=O)(=O)Cl.
What is the InChIKey of 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The InChIKey is AMHUOBDMEKVCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2IN2O2S/c8-16(14,15)7-3(2-12)1-4(11)5(13-7)6(9)10/h1,6H.
What are the key properties of 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride has a molecular weight of 378.53 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride is sourced from PubChem (CID 130077780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).