6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile

C13H9ClN4 — CID 91392309

IUPAC6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(/N=N/Cc2ccccc2Cl)nc1
InChIInChI=1S/C13H9ClN4/c14-12-4-2-1-3-11(12)9-17-18-13-6-5-10(7-15)8-16-13/h1-6,8H,9H2/b18-17+
InChIKeyXAPONFNHEVFCRB-ISLYRVAYSA-N
MW256.70 g/mol
LogP3.89
Rot. Bonds3

About 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile

6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile (PubChem CID 91392309) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile
PubChem CID91392309
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(/N=N/Cc2ccccc2Cl)nc1
InChIInChI=1S/C13H9ClN4/c14-12-4-2-1-3-11(12)9-17-18-13-6-5-10(7-15)8-16-13/h1-6,8H,9H2/b18-17+
InChIKeyXAPONFNHEVFCRB-ISLYRVAYSA-N
XLogP3.89
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile (CID 91392309) is 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile is N#Cc1ccc(/N=N/Cc2ccccc2Cl)nc1.
What is the InChIKey of 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile?
The InChIKey is XAPONFNHEVFCRB-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-12-4-2-1-3-11(12)9-17-18-13-6-5-10(7-15)8-16-13/h1-6,8H,9H2/b18-17+.
What are the key properties of 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile?
6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile has a molecular weight of 256.70 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 91392309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).