6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile

C13H7Cl3N4 — CID 5331860

IUPAC6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(N/N=C/c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl3N4/c14-10-9(6-17)12(16)19-13(11(10)15)20-18-7-8-4-2-1-3-5-8/h1-5,7H,(H,19,20)/b18-7+
InChIKeyKYQWHMPSDLOJMD-CNHKJKLMSA-N
MW325.59 g/mol
LogP4.36
Rot. Bonds3

About 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile

6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile (PubChem CID 5331860) has the molecular formula C13H7Cl3N4 and a molecular weight of 325.59 g/mol. Its IUPAC name is 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile
PubChem CID5331860
Molecular FormulaC13H7Cl3N4
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(N/N=C/c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl3N4/c14-10-9(6-17)12(16)19-13(11(10)15)20-18-7-8-4-2-1-3-5-8/h1-5,7H,(H,19,20)/b18-7+
InChIKeyKYQWHMPSDLOJMD-CNHKJKLMSA-N
XLogP4.36
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile?
The IUPAC name of 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile (CID 5331860) is 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile?
The canonical SMILES for 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile is N#Cc1c(Cl)nc(N/N=C/c2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile?
The InChIKey is KYQWHMPSDLOJMD-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H7Cl3N4/c14-10-9(6-17)12(16)19-13(11(10)15)20-18-7-8-4-2-1-3-5-8/h1-5,7H,(H,19,20)/b18-7+.
What are the key properties of 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile?
6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile has a molecular weight of 325.59 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile is sourced from PubChem (CID 5331860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).