4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride

C7H2ClF2N3O4S — CID 118850099

IUPAC4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
SMILESN#Cc1c(C(F)F)cnc(S(=O)(=O)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H2ClF2N3O4S/c8-18(16,17)7-5(13(14)15)3(1-11)4(2-12-7)6(9)10/h2,6H
InChIKeyKEKUVZCIVRUIGX-UHFFFAOYSA-N
MW297.63 g/mol
LogP1.73
Rot. Bonds3

About 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride

4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride (PubChem CID 118850099) has the molecular formula C7H2ClF2N3O4S and a molecular weight of 297.63 g/mol. Its IUPAC name is 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
PubChem CID118850099
Molecular FormulaC7H2ClF2N3O4S
Molecular Weight297.63 g/mol
Exact Mass296.94
IUPAC Name4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
SMILESN#Cc1c(C(F)F)cnc(S(=O)(=O)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H2ClF2N3O4S/c8-18(16,17)7-5(13(14)15)3(1-11)4(2-12-7)6(9)10/h2,6H
InChIKeyKEKUVZCIVRUIGX-UHFFFAOYSA-N
XLogP1.73
TPSA113.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.63
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 118822344
4-cyano-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118811093
3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 130108736
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131269677
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
CID 130078518

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride (CID 118850099) is 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride is N#Cc1c(C(F)F)cnc(S(=O)(=O)Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride?
The InChIKey is KEKUVZCIVRUIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2N3O4S/c8-18(16,17)7-5(13(14)15)3(1-11)4(2-12-7)6(9)10/h2,6H.
What are the key properties of 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride?
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride has a molecular weight of 297.63 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 118850099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).