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

C14H12BrN3O2 — CID 84609703

IUPAC6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(OC)cc(-c2nnc3ccc(Br)cn23)c1
InChIInChI=1S/C14H12BrN3O2/c1-19-11-5-9(6-12(7-11)20-2)14-17-16-13-4-3-10(15)8-18(13)14/h3-8H,1-2H3
InChIKeyBYVMMFKTELKXFM-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.18
Rot. Bonds3

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

6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 84609703) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID84609703
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(OC)cc(-c2nnc3ccc(Br)cn23)c1
InChIInChI=1S/C14H12BrN3O2/c1-19-11-5-9(6-12(7-11)20-2)14-17-16-13-4-3-10(15)8-18(13)14/h3-8H,1-2H3
InChIKeyBYVMMFKTELKXFM-UHFFFAOYSA-N
XLogP3.18
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 82379941
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162667738
4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-nitroaniline
CID 65348041
3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 115370047
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617918
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 55087007
3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061271
methyl 3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114375490
6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080062
methyl 3-(5-bromothiophen-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 107965674
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 84609703) is 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(OC)cc(-c2nnc3ccc(Br)cn23)c1.
What is the InChIKey of 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BYVMMFKTELKXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-19-11-5-9(6-12(7-11)20-2)14-17-16-13-4-3-10(15)8-18(13)14/h3-8H,1-2H3.
What are the key properties of 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 334.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 84609703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).