6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile

C14H14N4O — CID 62252468

IUPAC6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCCOc1ccccc1-c1ccc(C#N)c(NN)n1
InChIInChI=1S/C14H14N4O/c1-2-19-13-6-4-3-5-11(13)12-8-7-10(9-15)14(17-12)18-16/h3-8H,2,16H2,1H3,(H,17,18)
InChIKeyKNPIKPPCGZRPQT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.30
Rot. Bonds4

About 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile

6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 62252468) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile
PubChem CID62252468
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCCOc1ccccc1-c1ccc(C#N)c(NN)n1
InChIInChI=1S/C14H14N4O/c1-2-19-13-6-4-3-5-11(13)12-8-7-10(9-15)14(17-12)18-16/h3-8H,2,16H2,1H3,(H,17,18)
InChIKeyKNPIKPPCGZRPQT-UHFFFAOYSA-N
XLogP2.30
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.30
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-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile (CID 62252468) is 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile is CCOc1ccccc1-c1ccc(C#N)c(NN)n1.
What is the InChIKey of 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is KNPIKPPCGZRPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-19-13-6-4-3-5-11(13)12-8-7-10(9-15)14(17-12)18-16/h3-8H,2,16H2,1H3,(H,17,18).
What are the key properties of 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile?
6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 62252468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).