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

C14H9BrClN3O2 — CID 82567266

IUPACmethyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cc(Cl)cc(Br)c3)nn2c1
InChIInChI=1S/C14H9BrClN3O2/c1-21-14(20)8-2-3-12-17-13(18-19(12)7-8)9-4-10(15)6-11(16)5-9/h2-7H,1H3
InChIKeyZOIIBULABRWTOZ-UHFFFAOYSA-N
MW366.60 g/mol
LogP3.60
Rot. Bonds2

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

methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 82567266) has the molecular formula C14H9BrClN3O2 and a molecular weight of 366.60 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID82567266
Molecular FormulaC14H9BrClN3O2
Molecular Weight366.60 g/mol
Exact Mass364.96
IUPAC Namemethyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cc(Cl)cc(Br)c3)nn2c1
InChIInChI=1S/C14H9BrClN3O2/c1-21-14(20)8-2-3-12-17-13(18-19(12)7-8)9-4-10(15)6-11(16)5-9/h2-7H,1H3
InChIKeyZOIIBULABRWTOZ-UHFFFAOYSA-N
XLogP3.60
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567260
methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567251
2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82566662
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
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-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117257789
methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133
methyl 2-(3-bromo-5-chlorophenyl)benzoate
CID 142754386
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 82567266) is methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cc(Cl)cc(Br)c3)nn2c1.
What is the InChIKey of methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is ZOIIBULABRWTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O2/c1-21-14(20)8-2-3-12-17-13(18-19(12)7-8)9-4-10(15)6-11(16)5-9/h2-7H,1H3.
What are the key properties of methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 366.60 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 82567266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).