methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C12H8ClN3O2S — CID 117147661

IUPACmethyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3ccc(Cl)s3)nnc12
InChIInChI=1S/C12H8ClN3O2S/c1-18-12(17)7-3-2-6-16-10(7)14-15-11(16)8-4-5-9(13)19-8/h2-6H,1H3
InChIKeyGKKDQJDUFKBWMC-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.90
Rot. Bonds2

About methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 117147661) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
PubChem CID117147661
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC Namemethyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3ccc(Cl)s3)nnc12
InChIInChI=1S/C12H8ClN3O2S/c1-18-12(17)7-3-2-6-16-10(7)14-15-11(16)8-4-5-9(13)19-8/h2-6H,1H3
InChIKeyGKKDQJDUFKBWMC-UHFFFAOYSA-N
XLogP2.90
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
methyl 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257476
methyl 3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147397
ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 58137767
3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 117146074
methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257442
propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 119099134
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147420
3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 28814025
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 117147661) is methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(-c3ccc(Cl)s3)nnc12.
What is the InChIKey of methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The InChIKey is GKKDQJDUFKBWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c1-18-12(17)7-3-2-6-16-10(7)14-15-11(16)8-4-5-9(13)19-8/h2-6H,1H3.
What are the key properties of methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate has a molecular weight of 293.74 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 117147661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).