3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

C13H8BrN3O — CID 117138657

IUPAC3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nnc(-c3cccc(Br)c3)n2c1
InChIInChI=1S/C13H8BrN3O/c14-11-3-1-2-10(6-11)13-16-15-12-5-4-9(8-18)7-17(12)13/h1-8H
InChIKeyLDYLDPIZLXXBBJ-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.97
Rot. Bonds2

About 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 117138657) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID117138657
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nnc(-c3cccc(Br)c3)n2c1
InChIInChI=1S/C13H8BrN3O/c14-11-3-1-2-10(6-11)13-16-15-12-5-4-9(8-18)7-17(12)13/h1-8H
InChIKeyLDYLDPIZLXXBBJ-UHFFFAOYSA-N
XLogP2.97
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143683
3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138632
3-(3-bromophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061334
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139789
3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147131
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393304
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 82389030
3-bromobenzaldehyde;hydrobromide
CID 87841856

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 117138657) is 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is O=Cc1ccc2nnc(-c3cccc(Br)c3)n2c1.
What is the InChIKey of 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is LDYLDPIZLXXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-11-3-1-2-10(6-11)13-16-15-12-5-4-9(8-18)7-17(12)13/h1-8H.
What are the key properties of 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde has a molecular weight of 302.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117138657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).