2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline

C12H7BrCl2N4 — CID 65348078

IUPAC2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline
SMILESNc1c(Cl)cc(Cl)cc1-c1nnc2ccc(Br)cn12
InChIInChI=1S/C12H7BrCl2N4/c13-6-1-2-10-17-18-12(19(10)5-6)8-3-7(14)4-9(15)11(8)16/h1-5H,16H2
InChIKeySLOVMVLCKIGKIS-UHFFFAOYSA-N
MW358.03 g/mol
LogP4.05
Rot. Bonds1

About 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline

2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline (PubChem CID 65348078) has the molecular formula C12H7BrCl2N4 and a molecular weight of 358.03 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline.

Molecular Properties

Compound Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline
PubChem CID65348078
Molecular FormulaC12H7BrCl2N4
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline
SMILESNc1c(Cl)cc(Cl)cc1-c1nnc2ccc(Br)cn12
InChIInChI=1S/C12H7BrCl2N4/c13-6-1-2-10-17-18-12(19(10)5-6)8-3-7(14)4-9(15)11(8)16/h1-5H,16H2
InChIKeySLOVMVLCKIGKIS-UHFFFAOYSA-N
XLogP4.05
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline?
The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline (CID 65348078) is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline.
What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline?
The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline is Nc1c(Cl)cc(Cl)cc1-c1nnc2ccc(Br)cn12.
What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline?
The InChIKey is SLOVMVLCKIGKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N4/c13-6-1-2-10-17-18-12(19(10)5-6)8-3-7(14)4-9(15)11(8)16/h1-5H,16H2.
What are the key properties of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline?
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline has a molecular weight of 358.03 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6-dichloroaniline is sourced from PubChem (CID 65348078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).