6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride

C6H2ClF3N2O4S — CID 118809611

IUPAC6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)c(F)nc1C(F)F
InChIInChI=1S/C6H2ClF3N2O4S/c7-17(15,16)3-1-2(12(13)14)4(5(8)9)11-6(3)10/h1,5H
InChIKeyOYTRMXWORKBODH-UHFFFAOYSA-N
MW290.61 g/mol
LogP1.99
Rot. Bonds3

About 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride

6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride (PubChem CID 118809611) has the molecular formula C6H2ClF3N2O4S and a molecular weight of 290.61 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
PubChem CID118809611
Molecular FormulaC6H2ClF3N2O4S
Molecular Weight290.61 g/mol
Exact Mass289.94
IUPAC Name6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)c(F)nc1C(F)F
InChIInChI=1S/C6H2ClF3N2O4S/c7-17(15,16)3-1-2(12(13)14)4(5(8)9)11-6(3)10/h1,5H
InChIKeyOYTRMXWORKBODH-UHFFFAOYSA-N
XLogP1.99
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.61
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118820982
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
CID 118820529
5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446499
2-chloro-4-(difluoromethyl)-5-nitrobenzenesulfonyl chloride
CID 172969027
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
6-(difluoromethyl)-5-methoxy-3-nitropyridine-2-sulfonyl chloride
CID 118843482

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride (CID 118809611) is 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(F)nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride?
The InChIKey is OYTRMXWORKBODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O4S/c7-17(15,16)3-1-2(12(13)14)4(5(8)9)11-6(3)10/h1,5H.
What are the key properties of 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride?
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride has a molecular weight of 290.61 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride is sourced from PubChem (CID 118809611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).