3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid

C10H10BrN3O2 — CID 116990016

IUPAC3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1nc2cc(Br)ccn2n1)C(=O)O
InChIInChI=1S/C10H10BrN3O2/c1-6(10(15)16)4-8-12-9-5-7(11)2-3-14(9)13-8/h2-3,5-6H,4H2,1H3,(H,15,16)
InChIKeyWEOPHIIZXPGLBI-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.75
Rot. Bonds3

About 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid

3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid (PubChem CID 116990016) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid
PubChem CID116990016
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1nc2cc(Br)ccn2n1)C(=O)O
InChIInChI=1S/C10H10BrN3O2/c1-6(10(15)16)4-8-12-9-5-7(11)2-3-14(9)13-8/h2-3,5-6H,4H2,1H3,(H,15,16)
InChIKeyWEOPHIIZXPGLBI-UHFFFAOYSA-N
XLogP1.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116990013
3-[(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122094838
7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990080
7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135083
7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135581
(E)-3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
CID 116990034
3-(7-bromoquinolin-2-yl)-2-methylpropanoic acid
CID 82251244
7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134987
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
3-(5-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117121644
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
2-methyl-3-(2-methylimidazo[1,2-a]pyridin-7-yl)propanoic acid
CID 83836460

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid (CID 116990016) is 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid is CC(Cc1nc2cc(Br)ccn2n1)C(=O)O.
What is the InChIKey of 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid?
The InChIKey is WEOPHIIZXPGLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-6(10(15)16)4-8-12-9-5-7(11)2-3-14(9)13-8/h2-3,5-6H,4H2,1H3,(H,15,16).
What are the key properties of 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid?
3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid has a molecular weight of 284.11 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 116990016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).