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

C13H13FN4O — CID 163230364

IUPAC2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(F)c(O)c(/C=N/N(C)c2cnccn2)c1
InChIInChI=1S/C13H13FN4O/c1-9-5-10(13(19)11(14)6-9)7-17-18(2)12-8-15-3-4-16-12/h3-8,19H,1-2H3/b17-7+
InChIKeyOMMZALNJNNPYMQ-REZTVBANSA-N
MW260.27 g/mol
LogP2.10
Rot. Bonds3

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

2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 163230364) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID163230364
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(F)c(O)c(/C=N/N(C)c2cnccn2)c1
InChIInChI=1S/C13H13FN4O/c1-9-5-10(13(19)11(14)6-9)7-17-18(2)12-8-15-3-4-16-12/h3-8,19H,1-2H3/b17-7+
InChIKeyOMMZALNJNNPYMQ-REZTVBANSA-N
XLogP2.10
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.10
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-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol (CID 163230364) is 2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol is Cc1cc(F)c(O)c(/C=N/N(C)c2cnccn2)c1.
What is the InChIKey of 2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is OMMZALNJNNPYMQ-REZTVBANSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-9-5-10(13(19)11(14)6-9)7-17-18(2)12-8-15-3-4-16-12/h3-8,19H,1-2H3/b17-7+.
What are the key properties of 2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol?
2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 260.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-[(E)-[methyl(pyrazin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 163230364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).