methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C12H8ClN3O3 — CID 117134866

IUPACmethyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(-c3ccc(Cl)o3)nc2c1
InChIInChI=1S/C12H8ClN3O3/c1-18-12(17)7-4-5-16-10(6-7)14-11(15-16)8-2-3-9(13)19-8/h2-6H,1H3
InChIKeyXRALRCLMUBVRLQ-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.43
Rot. Bonds2

About methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 117134866) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID117134866
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Namemethyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(-c3ccc(Cl)o3)nc2c1
InChIInChI=1S/C12H8ClN3O3/c1-18-12(17)7-4-5-16-10(6-7)14-11(15-16)8-2-3-9(13)19-8/h2-6H,1H3
InChIKeyXRALRCLMUBVRLQ-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

Analyze methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133
methyl 2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134868
methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135307
methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135296
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
methyl 2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134357
5-amino-2-(5-chlorofuran-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 23552511
2-(5-bromofuran-2-yl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117134762
5-amino-2-(5-chlorofuran-2-yl)-N,N-diethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 23552510
methyl 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257964
methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133580
2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137147

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 117134866) is methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2nc(-c3ccc(Cl)o3)nc2c1.
What is the InChIKey of methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is XRALRCLMUBVRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c1-18-12(17)7-4-5-16-10(6-7)14-11(15-16)8-2-3-9(13)19-8/h2-6H,1H3.
What are the key properties of methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-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 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117134866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).