2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol

C15H17FN4O — CID 170687916

IUPAC2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol
SMILESCC(C)c1cc(F)c(O)c(/C=N/N(C)c2cnccn2)c1
InChIInChI=1S/C15H17FN4O/c1-10(2)11-6-12(15(21)13(16)7-11)8-19-20(3)14-9-17-4-5-18-14/h4-10,21H,1-3H3/b19-8+
InChIKeyHYWCJARDORMLFP-UFWORHAWSA-N
MW288.33 g/mol
LogP2.91
Rot. Bonds4

About 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol

2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol (PubChem CID 170687916) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol
PubChem CID170687916
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol
SMILESCC(C)c1cc(F)c(O)c(/C=N/N(C)c2cnccn2)c1
InChIInChI=1S/C15H17FN4O/c1-10(2)11-6-12(15(21)13(16)7-11)8-19-20(3)14-9-17-4-5-18-14/h4-10,21H,1-3H3/b19-8+
InChIKeyHYWCJARDORMLFP-UFWORHAWSA-N
XLogP2.91
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol?
The IUPAC name of 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol (CID 170687916) is 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol is CC(C)c1cc(F)c(O)c(/C=N/N(C)c2cnccn2)c1.
What is the InChIKey of 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol?
The InChIKey is HYWCJARDORMLFP-UFWORHAWSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10(2)11-6-12(15(21)13(16)7-11)8-19-20(3)14-9-17-4-5-18-14/h4-10,21H,1-3H3/b19-8+.
What are the key properties of 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol?
2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol has a molecular weight of 288.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]-4-propan-2-ylphenol is sourced from PubChem (CID 170687916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).