5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C19H11BrClN3O2 — CID 82565674

IUPAC5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(Br)c2)n2nc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C19H11BrClN3O2/c20-13-5-1-3-11(9-13)16-8-7-15(19(25)26)18-22-17(23-24(16)18)12-4-2-6-14(21)10-12/h1-10H,(H,25,26)
InChIKeyPYPGUFHRRPFCKI-UHFFFAOYSA-N
MW428.67 g/mol
LogP5.18
Rot. Bonds3

About 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565674) has the molecular formula C19H11BrClN3O2 and a molecular weight of 428.67 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82565674
Molecular FormulaC19H11BrClN3O2
Molecular Weight428.67 g/mol
Exact Mass426.97
IUPAC Name5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(Br)c2)n2nc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C19H11BrClN3O2/c20-13-5-1-3-11(9-13)16-8-7-15(19(25)26)18-22-17(23-24(16)18)12-4-2-6-14(21)10-12/h1-10H,(H,25,26)
InChIKeyPYPGUFHRRPFCKI-UHFFFAOYSA-N
XLogP5.18
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.67
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

methyl 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565527
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565824
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565974
2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565734
methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565525
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
5-(3-chlorophenyl)-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 83897712
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565674) is 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1ccc(-c2cccc(Br)c2)n2nc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is PYPGUFHRRPFCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClN3O2/c20-13-5-1-3-11(9-13)16-8-7-15(19(25)26)18-22-17(23-24(16)18)12-4-2-6-14(21)10-12/h1-10H,(H,25,26).
What are the key properties of 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 428.67 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).