2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile

C15H16N4O — CID 62252110

IUPAC2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile
SMILESCCCOc1ccc(-c2ccc(C#N)c(NN)n2)cc1
InChIInChI=1S/C15H16N4O/c1-2-9-20-13-6-3-11(4-7-13)14-8-5-12(10-16)15(18-14)19-17/h3-8H,2,9,17H2,1H3,(H,18,19)
InChIKeyBGJKGAZVAURTDA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.69
Rot. Bonds5

About 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile

2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile (PubChem CID 62252110) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile
PubChem CID62252110
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile
SMILESCCCOc1ccc(-c2ccc(C#N)c(NN)n2)cc1
InChIInChI=1S/C15H16N4O/c1-2-9-20-13-6-3-11(4-7-13)14-8-5-12(10-16)15(18-14)19-17/h3-8H,2,9,17H2,1H3,(H,18,19)
InChIKeyBGJKGAZVAURTDA-UHFFFAOYSA-N
XLogP2.69
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile (CID 62252110) is 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile is CCCOc1ccc(-c2ccc(C#N)c(NN)n2)cc1.
What is the InChIKey of 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is BGJKGAZVAURTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-9-20-13-6-3-11(4-7-13)14-8-5-12(10-16)15(18-14)19-17/h3-8H,2,9,17H2,1H3,(H,18,19).
What are the key properties of 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile?
2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 62252110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).