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

C6H2Cl2F2N2O4S — CID 131446502

IUPAC3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(C(F)F)c(Cl)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-4-2(5(9)10)1-3(12(13)14)11-6(4)17(8,15)16/h1,5H
InChIKeyBWHGNCHOVNNPEC-UHFFFAOYSA-N
MW307.06 g/mol
LogP2.51
Rot. Bonds3

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

3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride (PubChem CID 131446502) has the molecular formula C6H2Cl2F2N2O4S and a molecular weight of 307.06 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
PubChem CID131446502
Molecular FormulaC6H2Cl2F2N2O4S
Molecular Weight307.06 g/mol
Exact Mass305.91
IUPAC Name3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(C(F)F)c(Cl)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-4-2(5(9)10)1-3(12(13)14)11-6(4)17(8,15)16/h1,5H
InChIKeyBWHGNCHOVNNPEC-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

2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243
3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride
CID 131451806
6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131269677
6-bromo-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131314333
4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
CID 119004202
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 119013250
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride (CID 131446502) is 3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride is O=[N+]([O-])c1cc(C(F)F)c(Cl)c(S(=O)(=O)Cl)n1.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride?
The InChIKey is BWHGNCHOVNNPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N2O4S/c7-4-2(5(9)10)1-3(12(13)14)11-6(4)17(8,15)16/h1,5H.
What are the key properties of 3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride?
3-chloro-4-(difluoromethyl)-6-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-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 131446502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).