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

C6H4ClF2N3O4S — CID 131269677

IUPAC6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
SMILESNc1cc(C(F)F)c([N+](=O)[O-])c(S(=O)(=O)Cl)n1
InChIInChI=1S/C6H4ClF2N3O4S/c7-17(15,16)6-4(12(13)14)2(5(8)9)1-3(10)11-6/h1,5H,(H2,10,11)
InChIKeyWJIVWXYWVNXFGE-UHFFFAOYSA-N
MW287.63 g/mol
LogP1.44
Rot. Bonds3

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

6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride (PubChem CID 131269677) has the molecular formula C6H4ClF2N3O4S and a molecular weight of 287.63 g/mol. Its IUPAC name is 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
PubChem CID131269677
Molecular FormulaC6H4ClF2N3O4S
Molecular Weight287.63 g/mol
Exact Mass286.96
IUPAC Name6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
SMILESNc1cc(C(F)F)c([N+](=O)[O-])c(S(=O)(=O)Cl)n1
InChIInChI=1S/C6H4ClF2N3O4S/c7-17(15,16)6-4(12(13)14)2(5(8)9)1-3(10)11-6/h1,5H,(H2,10,11)
InChIKeyWJIVWXYWVNXFGE-UHFFFAOYSA-N
XLogP1.44
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 51.44
H-Bond Donors ≤ 51
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

6-bromo-4-(difluoromethyl)-5-nitropyridine-2-sulfonyl chloride
CID 131314338
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
4-cyano-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118811093
6-bromo-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131314333
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
ethyl 6-amino-4-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 134670512
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118850099
4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
CID 118807407
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243
ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134661846

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride (CID 131269677) is 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride is Nc1cc(C(F)F)c([N+](=O)[O-])c(S(=O)(=O)Cl)n1.
What is the InChIKey of 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride?
The InChIKey is WJIVWXYWVNXFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N3O4S/c7-17(15,16)6-4(12(13)14)2(5(8)9)1-3(10)11-6/h1,5H,(H2,10,11).
What are the key properties of 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride?
6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride has a molecular weight of 287.63 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 131269677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).