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

C19H13BrClN5 — CID 82565974

IUPAC5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(Br)c2)n2nc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C19H13BrClN5/c20-13-5-1-3-11(9-13)16-8-7-15(17(22)23)19-24-18(25-26(16)19)12-4-2-6-14(21)10-12/h1-10H,(H3,22,23)
InChIKeyFGDLKNBVGYPREX-UHFFFAOYSA-N
MW426.71 g/mol
LogP4.76
Rot. Bonds3

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

5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (PubChem CID 82565974) has the molecular formula C19H13BrClN5 and a molecular weight of 426.71 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
PubChem CID82565974
Molecular FormulaC19H13BrClN5
Molecular Weight426.71 g/mol
Exact Mass425.00
IUPAC Name5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(Br)c2)n2nc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C19H13BrClN5/c20-13-5-1-3-11(9-13)16-8-7-15(17(22)23)19-24-18(25-26(16)19)12-4-2-6-14(21)10-12/h1-10H,(H3,22,23)
InChIKeyFGDLKNBVGYPREX-UHFFFAOYSA-N
XLogP4.76
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.71
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565824
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
methyl 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565527
5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565961
2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565734
5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565975
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565927
methyl 5-(3-bromophenyl)-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565525
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565894
5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 173089309

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The IUPAC name of 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (CID 82565974) is 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.
What is the SMILES notation for 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The canonical SMILES for 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is [H]/N=C(\N)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-carboximidamide?
The InChIKey is FGDLKNBVGYPREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClN5/c20-13-5-1-3-11(9-13)16-8-7-15(17(22)23)19-24-18(25-26(16)19)12-4-2-6-14(21)10-12/h1-10H,(H3,22,23).
What are the key properties of 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide has a molecular weight of 426.71 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 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-carboximidamide is sourced from PubChem (CID 82565974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).