5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

C7H5Cl2N3O3S — CID 21464365

IUPAC5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
SMILESCOc1ccc(Cl)n2nc(S(=O)(=O)Cl)nc12
InChIInChI=1S/C7H5Cl2N3O3S/c1-15-4-2-3-5(8)12-6(4)10-7(11-12)16(9,13)14/h2-3H,1H3
InChIKeyMYDNKLVEOZFADV-UHFFFAOYSA-N
MW282.11 g/mol
LogP1.32
Rot. Bonds2

About 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride (PubChem CID 21464365) has the molecular formula C7H5Cl2N3O3S and a molecular weight of 282.11 g/mol. Its IUPAC name is 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
PubChem CID21464365
Molecular FormulaC7H5Cl2N3O3S
Molecular Weight282.11 g/mol
Exact Mass280.94
IUPAC Name5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
SMILESCOc1ccc(Cl)n2nc(S(=O)(=O)Cl)nc12
InChIInChI=1S/C7H5Cl2N3O3S/c1-15-4-2-3-5(8)12-6(4)10-7(11-12)16(9,13)14/h2-3H,1H3
InChIKeyMYDNKLVEOZFADV-UHFFFAOYSA-N
XLogP1.32
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride?
The IUPAC name of 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride (CID 21464365) is 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride is COc1ccc(Cl)n2nc(S(=O)(=O)Cl)nc12.
What is the InChIKey of 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride?
The InChIKey is MYDNKLVEOZFADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3O3S/c1-15-4-2-3-5(8)12-6(4)10-7(11-12)16(9,13)14/h2-3H,1H3.
What are the key properties of 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride?
5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride has a molecular weight of 282.11 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride is sourced from PubChem (CID 21464365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).