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

C6H2Cl2F2N2O4S — CID 131446499

IUPAC5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)nc(C(F)F)c1Cl
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-4-2(12(13)14)1-3(17(8,15)16)11-5(4)6(9)10/h1,6H
InChIKeyCFBAONNNJPXRKM-UHFFFAOYSA-N
MW307.06 g/mol
LogP2.51
Rot. Bonds3

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

5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride (PubChem CID 131446499) has the molecular formula C6H2Cl2F2N2O4S and a molecular weight of 307.06 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
PubChem CID131446499
Molecular FormulaC6H2Cl2F2N2O4S
Molecular Weight307.06 g/mol
Exact Mass305.91
IUPAC Name5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)nc(C(F)F)c1Cl
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-4-2(12(13)14)1-3(17(8,15)16)11-5(4)6(9)10/h1,6H
InChIKeyCFBAONNNJPXRKM-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130099502
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
6-(difluoromethyl)-4,5-difluoropyridine-2-sulfonyl chloride
CID 130099948
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611
6-(difluoromethyl)-5-methoxy-3-nitropyridine-2-sulfonyl chloride
CID 118843482
6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
CID 118815349
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118820982
5-methyl-4-nitropyridine-2-sulfonyl chloride
CID 83271751
6-bromo-4-(difluoromethyl)-5-nitropyridine-2-sulfonyl chloride
CID 131314338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride (CID 131446499) is 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)nc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The InChIKey is CFBAONNNJPXRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N2O4S/c7-4-2(12(13)14)1-3(17(8,15)16)11-5(4)6(9)10/h1,6H.
What are the key properties of 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
5-chloro-6-(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 5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 131446499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).