3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine

C13H9Cl2N3 — CID 145469047

IUPAC3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccn2c(-c3c(Cl)cccc3Cl)nnc2c1
InChIInChI=1S/C13H9Cl2N3/c1-8-5-6-18-11(7-8)16-17-13(18)12-9(14)3-2-4-10(12)15/h2-7H,1H3
InChIKeyATTVDCMMIVDUQP-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.01
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 145469047) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID145469047
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccn2c(-c3c(Cl)cccc3Cl)nnc2c1
InChIInChI=1S/C13H9Cl2N3/c1-8-5-6-18-11(7-8)16-17-13(18)12-9(14)3-2-4-10(12)15/h2-7H,1H3
InChIKeyATTVDCMMIVDUQP-UHFFFAOYSA-N
XLogP4.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82830427
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 63724464
ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 145469042
2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide
CID 167889546
3-(5-bromothiophen-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144382
7-methyl-3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 145469056
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770
[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine
CID 114324859
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 107813659
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 79002399
7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83679024

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 145469047) is 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccn2c(-c3c(Cl)cccc3Cl)nnc2c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ATTVDCMMIVDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c1-8-5-6-18-11(7-8)16-17-13(18)12-9(14)3-2-4-10(12)15/h2-7H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 278.14 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 145469047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).