methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C8H7BrN4O2 — CID 82555209

IUPACmethyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Br)cn2nc(N)nc12
InChIInChI=1S/C8H7BrN4O2/c1-15-7(14)5-2-4(9)3-13-6(5)11-8(10)12-13/h2-3H,1H3,(H2,10,12)
InChIKeyARHWEOUDQPWWPF-UHFFFAOYSA-N
MW271.07 g/mol
LogP0.86
Rot. Bonds1

About methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 82555209) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID82555209
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Namemethyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Br)cn2nc(N)nc12
InChIInChI=1S/C8H7BrN4O2/c1-15-7(14)5-2-4(9)3-13-6(5)11-8(10)12-13/h2-3H,1H3,(H2,10,12)
InChIKeyARHWEOUDQPWWPF-UHFFFAOYSA-N
XLogP0.86
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155231987
methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
CID 168948261
methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate
CID 131377489
methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565449
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856
methyl 3-amino-5-bromo-2-iodobenzoate
CID 63022282
methyl 5-bromo-2-oxo-1-(3-trimethylsilylprop-2-ynyl)pyridine-3-carboxylate
CID 170948677
methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
CID 59023809
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
methyl 2-amino-4-(5-bromo-2-methylphenyl)pyrimidine-5-carboxylate
CID 59113908
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 82555209) is methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cc(Br)cn2nc(N)nc12.
What is the InChIKey of methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is ARHWEOUDQPWWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c1-15-7(14)5-2-4(9)3-13-6(5)11-8(10)12-13/h2-3H,1H3,(H2,10,12).
What are the key properties of methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 271.07 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 82555209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).