6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine

C10H6ClN3O4S — CID 135303982

IUPAC6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1S(=O)(=O)c1ccccn1
InChIInChI=1S/C10H6ClN3O4S/c11-8-5-4-7(14(15)16)10(13-8)19(17,18)9-3-1-2-6-12-9/h1-6H
InChIKeySZKKKWCDCRBGQE-UHFFFAOYSA-N
MW299.70 g/mol
LogP1.87
Rot. Bonds3

About 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine

6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine (PubChem CID 135303982) has the molecular formula C10H6ClN3O4S and a molecular weight of 299.70 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine
PubChem CID135303982
Molecular FormulaC10H6ClN3O4S
Molecular Weight299.70 g/mol
Exact Mass298.98
IUPAC Name6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1S(=O)(=O)c1ccccn1
InChIInChI=1S/C10H6ClN3O4S/c11-8-5-4-7(14(15)16)10(13-8)19(17,18)9-3-1-2-6-12-9/h1-6H
InChIKeySZKKKWCDCRBGQE-UHFFFAOYSA-N
XLogP1.87
TPSA103.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine?
The IUPAC name of 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine (CID 135303982) is 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine?
The canonical SMILES for 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine is O=[N+]([O-])c1ccc(Cl)nc1S(=O)(=O)c1ccccn1.
What is the InChIKey of 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine?
The InChIKey is SZKKKWCDCRBGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O4S/c11-8-5-4-7(14(15)16)10(13-8)19(17,18)9-3-1-2-6-12-9/h1-6H.
What are the key properties of 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine?
6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine has a molecular weight of 299.70 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-pyridin-2-ylsulfonylpyridine is sourced from PubChem (CID 135303982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).