methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

C9H8BrN3O2 — CID 171553083

IUPACmethyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Br)c(C)n2n1
InChIInChI=1S/C9H8BrN3O2/c1-5-6(10)3-4-7-11-8(9(14)15-2)12-13(5)7/h3-4H,1-2H3
InChIKeyKJTYSLNNVYEVEB-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.59
Rot. Bonds1

About methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 171553083) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
PubChem CID171553083
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Namemethyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Br)c(C)n2n1
InChIInChI=1S/C9H8BrN3O2/c1-5-6(10)3-4-7-11-8(9(14)15-2)12-13(5)7/h3-4H,1-2H3
InChIKeyKJTYSLNNVYEVEB-UHFFFAOYSA-N
XLogP1.59
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
CID 142367193
methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 68585795
methyl 7-(3-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200418
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 66720768
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567386
methyl 6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66458638
methyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 175668866
methyl 5-acetamido-1-methyl-1,2,4-triazole-3-carboxylate
CID 45089445
methyl 2-bromo-5-hydrazinylbenzoate
CID 130053361

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate (CID 171553083) is methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate is COC(=O)c1nc2ccc(Br)c(C)n2n1.
What is the InChIKey of methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is KJTYSLNNVYEVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-5-6(10)3-4-7-11-8(9(14)15-2)12-13(5)7/h3-4H,1-2H3.
What are the key properties of methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate?
methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 270.09 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 171553083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).