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

C6H2Cl2F2N2O4S — CID 131446537

IUPAC3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(C(F)F)nc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-4-3(12(13)14)1-2(5(9)10)11-6(4)17(8,15)16/h1,5H
InChIKeyUORBSOKMRLXVKJ-UHFFFAOYSA-N
MW307.06 g/mol
LogP2.51
Rot. Bonds3

About 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride

3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride (PubChem CID 131446537) has the molecular formula C6H2Cl2F2N2O4S and a molecular weight of 307.06 g/mol. Its IUPAC name is 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
PubChem CID131446537
Molecular FormulaC6H2Cl2F2N2O4S
Molecular Weight307.06 g/mol
Exact Mass305.91
IUPAC Name3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(C(F)F)nc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-4-3(12(13)14)1-2(5(9)10)11-6(4)17(8,15)16/h1,5H
InChIKeyUORBSOKMRLXVKJ-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

3-bromo-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131491229
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075
5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446499
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
4-cyano-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118811093
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
6-bromo-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131314333
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
CID 118999855
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243
6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
CID 133087549
6-(difluoromethyl)-5-methoxy-3-nitropyridine-2-sulfonyl chloride
CID 118843482
4-chloro-6-(difluoromethyl)-3-hydroxypyridine-2-sulfonyl chloride
CID 130072883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride (CID 131446537) is 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride is O=[N+]([O-])c1cc(C(F)F)nc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
The InChIKey is UORBSOKMRLXVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N2O4S/c7-4-3(12(13)14)1-2(5(9)10)11-6(4)17(8,15)16/h1,5H.
What are the key properties of 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride?
3-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 3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 131446537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).