6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile

C16H14N4O — CID 62252280

IUPAC6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccc(C#N)c(NN)n2)oc2ccccc12
InChIInChI=1S/C16H14N4O/c1-2-11-12-5-3-4-6-14(12)21-15(11)13-8-7-10(9-17)16(19-13)20-18/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyWEJAHSVTJWUFSV-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.21
Rot. Bonds3

About 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile

6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 62252280) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile
PubChem CID62252280
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccc(C#N)c(NN)n2)oc2ccccc12
InChIInChI=1S/C16H14N4O/c1-2-11-12-5-3-4-6-14(12)21-15(11)13-8-7-10(9-17)16(19-13)20-18/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyWEJAHSVTJWUFSV-UHFFFAOYSA-N
XLogP3.21
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.21
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 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile (CID 62252280) is 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile is CCc1c(-c2ccc(C#N)c(NN)n2)oc2ccccc12.
What is the InChIKey of 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is WEJAHSVTJWUFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-11-12-5-3-4-6-14(12)21-15(11)13-8-7-10(9-17)16(19-13)20-18/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 62252280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).