6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride

C6H2Cl2F2N2O4S — CID 131450851

IUPAC6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)nc(Cl)c1C(F)F
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-5-4(6(9)10)2(12(13)14)1-3(11-5)17(8,15)16/h1,6H
InChIKeyRLKPDIOECJRIEG-UHFFFAOYSA-N
MW307.06 g/mol
LogP2.51
Rot. Bonds3

About 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride

6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride (PubChem CID 131450851) has the molecular formula C6H2Cl2F2N2O4S and a molecular weight of 307.06 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
PubChem CID131450851
Molecular FormulaC6H2Cl2F2N2O4S
Molecular Weight307.06 g/mol
Exact Mass305.91
IUPAC Name6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)nc(Cl)c1C(F)F
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-5-4(6(9)10)2(12(13)14)1-3(11-5)17(8,15)16/h1,6H
InChIKeyRLKPDIOECJRIEG-UHFFFAOYSA-N
XLogP2.51
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.06
LogP ≤ 52.51
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-chloro-5-(difluoromethyl)-4-nitropyridine-2-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

2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446499
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118828999
4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118811600
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243
4-(difluoromethyl)-3-iodo-5-nitrobenzenesulfonyl chloride
CID 172969530
3-(difluoromethoxy)-4-(difluoromethyl)-5-nitrobenzenesulfonyl chloride
CID 172969275
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
ethyl 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-carboxylate
CID 134670947
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride (CID 131450851) is 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)nc(Cl)c1C(F)F.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The InChIKey is RLKPDIOECJRIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N2O4S/c7-5-4(6(9)10)2(12(13)14)1-3(11-5)17(8,15)16/h1,6H.
What are the key properties of 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride has a molecular weight of 307.06 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 131450851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).