2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide

C14H11BrN4O — CID 3257755

IUPAC2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
SMILESNNC(=O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1
InChIInChI=1S/C14H11BrN4O/c15-11-4-1-9(2-5-11)12-8-19-7-10(14(20)18-16)3-6-13(19)17-12/h1-8H,16H2,(H,18,20)
InChIKeyYFOFDCFZISLFNJ-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.37
Rot. Bonds2

About 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide

2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide (PubChem CID 3257755) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide.

Molecular Properties

Compound Name2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
PubChem CID3257755
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
SMILESNNC(=O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1
InChIInChI=1S/C14H11BrN4O/c15-11-4-1-9(2-5-11)12-8-19-7-10(14(20)18-16)3-6-13(19)17-12/h1-8H,16H2,(H,18,20)
InChIKeyYFOFDCFZISLFNJ-UHFFFAOYSA-N
XLogP2.37
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide?
The IUPAC name of 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide (CID 3257755) is 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide.
What is the SMILES notation for 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide?
The canonical SMILES for 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide is NNC(=O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1.
What is the InChIKey of 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide?
The InChIKey is YFOFDCFZISLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c15-11-4-1-9(2-5-11)12-8-19-7-10(14(20)18-16)3-6-13(19)17-12/h1-8H,16H2,(H,18,20).
What are the key properties of 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide?
2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide has a molecular weight of 331.17 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)imidazo[1,2-a]pyridine-6-carbohydrazide is sourced from PubChem (CID 3257755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).