6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile

C12H9BrN4 — CID 62252649

IUPAC6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Br)cc2)nc1NN
InChIInChI=1S/C12H9BrN4/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16-11)17-15/h1-6H,15H2,(H,16,17)
InChIKeyUNNVDDZQDNIKPT-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.67
Rot. Bonds2

About 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile

6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 62252649) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile
PubChem CID62252649
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Br)cc2)nc1NN
InChIInChI=1S/C12H9BrN4/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16-11)17-15/h1-6H,15H2,(H,16,17)
InChIKeyUNNVDDZQDNIKPT-UHFFFAOYSA-N
XLogP2.67
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile (CID 62252649) is 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(Br)cc2)nc1NN.
What is the InChIKey of 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is UNNVDDZQDNIKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16-11)17-15/h1-6H,15H2,(H,16,17).
What are the key properties of 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile?
6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 289.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 62252649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).