8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C14H12ClN3O2 — CID 39834346

IUPAC8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(OC)c1-c1nnc2c(Cl)cccn12
InChIInChI=1S/C14H12ClN3O2/c1-19-10-6-3-7-11(20-2)12(10)14-17-16-13-9(15)5-4-8-18(13)14/h3-8H,1-2H3
InChIKeyWGWGQDWWIPMHEV-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.07
Rot. Bonds3

About 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 39834346) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID39834346
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(OC)c1-c1nnc2c(Cl)cccn12
InChIInChI=1S/C14H12ClN3O2/c1-19-10-6-3-7-11(20-2)12(10)14-17-16-13-9(15)5-4-8-18(13)14/h3-8H,1-2H3
InChIKeyWGWGQDWWIPMHEV-UHFFFAOYSA-N
XLogP3.07
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 104818577
3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145584
3-(5-bromofuran-2-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 117146848
3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145572
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 53203701
8-chloro-3-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyridine
CID 103095082
2-(3-chloro-2-fluorophenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 114488854
1-chloro-2-methoxybenzene
CID 13011
[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754947
2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82529459
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 53203694
5-(2-chloro-6-methoxyphenyl)-2,3-dimethylimidazol-4-amine
CID 113456519

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 39834346) is 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(OC)c1-c1nnc2c(Cl)cccn12.
What is the InChIKey of 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WGWGQDWWIPMHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-19-10-6-3-7-11(20-2)12(10)14-17-16-13-9(15)5-4-8-18(13)14/h3-8H,1-2H3.
What are the key properties of 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 289.72 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 39834346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).