N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide

C14H11BrN4O2 — CID 71447889

IUPACN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc(Br)cn3n2)c1
InChIInChI=1S/C14H11BrN4O2/c1-21-11-4-2-3-9(7-11)13(20)17-14-16-12-6-5-10(15)8-19(12)18-14/h2-8H,1H3,(H,17,18,20)
InChIKeyJAKGJHXECUORJH-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.75
Rot. Bonds3

About N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide

N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide (PubChem CID 71447889) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
PubChem CID71447889
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC NameN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc(Br)cn3n2)c1
InChIInChI=1S/C14H11BrN4O2/c1-21-11-4-2-3-9(7-11)13(20)17-14-16-12-6-5-10(15)8-19(12)18-14/h2-8H,1H3,(H,17,18,20)
InChIKeyJAKGJHXECUORJH-UHFFFAOYSA-N
XLogP2.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide (CID 71447889) is N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc3ccc(Br)cn3n2)c1.
What is the InChIKey of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide?
The InChIKey is JAKGJHXECUORJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-21-11-4-2-3-9(7-11)13(20)17-14-16-12-6-5-10(15)8-19(12)18-14/h2-8H,1H3,(H,17,18,20).
What are the key properties of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide?
N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide has a molecular weight of 347.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 71447889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).