methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate

C12H8ClN3O3 — CID 117142734

IUPACmethyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nnc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C12H8ClN3O3/c1-18-12(17)7-3-2-4-10-14-15-11(16(7)10)8-5-6-9(13)19-8/h2-6H,1H3
InChIKeyGTQKUTKRNVBYDA-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.43
Rot. Bonds2

About methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate

methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (PubChem CID 117142734) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
PubChem CID117142734
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Namemethyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nnc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C12H8ClN3O3/c1-18-12(17)7-3-2-4-10-14-15-11(16(7)10)8-5-6-9(13)19-8/h2-6H,1H3
InChIKeyGTQKUTKRNVBYDA-UHFFFAOYSA-N
XLogP2.43
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (CID 117142734) is methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate is COC(=O)c1cccc2nnc(-c3ccc(Cl)o3)n12.
What is the InChIKey of methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The InChIKey is GTQKUTKRNVBYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c1-18-12(17)7-3-2-4-10-14-15-11(16(7)10)8-5-6-9(13)19-8/h2-6H,1H3.
What are the key properties of methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate has a molecular weight of 277.67 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).