methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

C13H9BrN4O2 — CID 82567260

IUPACmethyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cncc(Br)c3)nn2c1
InChIInChI=1S/C13H9BrN4O2/c1-20-13(19)8-2-3-11-16-12(17-18(11)7-8)9-4-10(14)6-15-5-9/h2-7H,1H3
InChIKeyBQWBPJQEVDOOFL-UHFFFAOYSA-N
MW333.15 g/mol
LogP2.34
Rot. Bonds2

About methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 82567260) has the molecular formula C13H9BrN4O2 and a molecular weight of 333.15 g/mol. Its IUPAC name is methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID82567260
Molecular FormulaC13H9BrN4O2
Molecular Weight333.15 g/mol
Exact Mass331.99
IUPAC Namemethyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cncc(Br)c3)nn2c1
InChIInChI=1S/C13H9BrN4O2/c1-20-13(19)8-2-3-11-16-12(17-18(11)7-8)9-4-10(14)6-15-5-9/h2-7H,1H3
InChIKeyBQWBPJQEVDOOFL-UHFFFAOYSA-N
XLogP2.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567266
methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567251
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117257789
methyl 4-[(5-bromo-3-pyridinyl)sulfanyl]benzoate
CID 168792201
2-(5-ethyl-3-pyridinyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 89472371
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 166392936
methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 82567260) is methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cncc(Br)c3)nn2c1.
What is the InChIKey of methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is BQWBPJQEVDOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O2/c1-20-13(19)8-2-3-11-16-12(17-18(11)7-8)9-4-10(14)6-15-5-9/h2-7H,1H3.
What are the key properties of methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 333.15 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 82567260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).