6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C14H11BrN4 — CID 65347794

IUPAC6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3Cc4ccccc4N3)n2c1
InChIInChI=1S/C14H11BrN4/c15-10-5-6-13-17-18-14(19(13)8-10)12-7-9-3-1-2-4-11(9)16-12/h1-6,8,12,16H,7H2
InChIKeyNGQJKOWYMADHSG-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.20
Rot. Bonds1

About 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 65347794) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID65347794
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3Cc4ccccc4N3)n2c1
InChIInChI=1S/C14H11BrN4/c15-10-5-6-13-17-18-14(19(13)8-10)12-7-9-3-1-2-4-11(9)16-12/h1-6,8,12,16H,7H2
InChIKeyNGQJKOWYMADHSG-UHFFFAOYSA-N
XLogP3.20
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 65347794) is 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(C3Cc4ccccc4N3)n2c1.
What is the InChIKey of 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NGQJKOWYMADHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-10-5-6-13-17-18-14(19(13)8-10)12-7-9-3-1-2-4-11(9)16-12/h1-6,8,12,16H,7H2.
What are the key properties of 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 315.17 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 65347794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).