5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C13H9Cl2N3 — CID 117132736

IUPAC5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccccc1Cc1nc2cccc(Cl)n2n1
InChIInChI=1S/C13H9Cl2N3/c14-10-5-2-1-4-9(10)8-12-16-13-7-3-6-11(15)18(13)17-12/h1-7H,8H2
InChIKeyHOCYUBFZJPWWNA-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.63
Rot. Bonds2

About 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117132736) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117132736
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccccc1Cc1nc2cccc(Cl)n2n1
InChIInChI=1S/C13H9Cl2N3/c14-10-5-2-1-4-9(10)8-12-16-13-7-3-6-11(15)18(13)17-12/h1-7H,8H2
InChIKeyHOCYUBFZJPWWNA-UHFFFAOYSA-N
XLogP3.63
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132829
2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130450
5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117257566
2-[(2-chlorophenyl)methyl]-5-methylimidazo[1,2-a]pyridine
CID 117132716
2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137330
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132084
6-chloro-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130502
5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133090
2-[(2-chlorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132733
5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274694
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566913
2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257654

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117132736) is 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccccc1Cc1nc2cccc(Cl)n2n1.
What is the InChIKey of 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HOCYUBFZJPWWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-10-5-2-1-4-9(10)8-12-16-13-7-3-6-11(15)18(13)17-12/h1-7H,8H2.
What are the key properties of 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 278.14 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117132736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).