5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride

C7H2ClF2IN2O2S — CID 130077762

IUPAC5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
SMILESN#Cc1c(I)ncc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C7H2ClF2IN2O2S/c8-16(14,15)4-2-13-7(11)3(1-12)5(4)6(9)10/h2,6H
InChIKeyLSIVQCLTICNKKS-UHFFFAOYSA-N
MW378.53 g/mol
LogP2.42
Rot. Bonds2

About 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride

5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride (PubChem CID 130077762) has the molecular formula C7H2ClF2IN2O2S and a molecular weight of 378.53 g/mol. Its IUPAC name is 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
PubChem CID130077762
Molecular FormulaC7H2ClF2IN2O2S
Molecular Weight378.53 g/mol
Exact Mass377.85
IUPAC Name5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
SMILESN#Cc1c(I)ncc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C7H2ClF2IN2O2S/c8-16(14,15)4-2-13-7(11)3(1-12)5(4)6(9)10/h2,6H
InChIKeyLSIVQCLTICNKKS-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
CID 130077803
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103695
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130076358
2-[4-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 118799469
5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 134685987
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride?
The IUPAC name of 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride (CID 130077762) is 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride?
The canonical SMILES for 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride is N#Cc1c(I)ncc(S(=O)(=O)Cl)c1C(F)F.
What is the InChIKey of 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride?
The InChIKey is LSIVQCLTICNKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2IN2O2S/c8-16(14,15)4-2-13-7(11)3(1-12)5(4)6(9)10/h2,6H.
What are the key properties of 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride?
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-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 5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride is sourced from PubChem (CID 130077762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).