4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride

C6H2Cl2F2N2O4S — CID 131446510

IUPAC4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1ncc(S(=O)(=O)Cl)c(Cl)c1C(F)F
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-4-2(17(8,15)16)1-11-6(12(13)14)3(4)5(9)10/h1,5H
InChIKeyZEEBMQYPSHQYTA-UHFFFAOYSA-N
MW307.06 g/mol
LogP2.51
Rot. Bonds3

About 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride

4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride (PubChem CID 131446510) has the molecular formula C6H2Cl2F2N2O4S and a molecular weight of 307.06 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
PubChem CID131446510
Molecular FormulaC6H2Cl2F2N2O4S
Molecular Weight307.06 g/mol
Exact Mass305.91
IUPAC Name4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1ncc(S(=O)(=O)Cl)c(Cl)c1C(F)F
InChIInChI=1S/C6H2Cl2F2N2O4S/c7-4-2(17(8,15)16)1-11-6(12(13)14)3(4)5(9)10/h1,5H
InChIKeyZEEBMQYPSHQYTA-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

5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine
CID 130074733
5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride
CID 131337922
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
CID 118815364
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
5-(chloromethyl)-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130081457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride?
The IUPAC name of 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride (CID 131446510) is 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride is O=[N+]([O-])c1ncc(S(=O)(=O)Cl)c(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride?
The InChIKey is ZEEBMQYPSHQYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N2O4S/c7-4-2(17(8,15)16)1-11-6(12(13)14)3(4)5(9)10/h1,5H.
What are the key properties of 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride?
4-chloro-5-(difluoromethyl)-6-nitropyridine-3-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 4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride is sourced from PubChem (CID 131446510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).