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

C12H11FN4O — CID 163229943

IUPAC2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
SMILESCc1cc(F)c(O)c(/C=N/Nc2cnccn2)c1
InChIInChI=1S/C12H11FN4O/c1-8-4-9(12(18)10(13)5-8)6-16-17-11-7-14-2-3-15-11/h2-7,18H,1H3,(H,15,17)/b16-6+
InChIKeyCOMKEOMNADLDCQ-OMCISZLKSA-N
MW246.25 g/mol
LogP2.08
Rot. Bonds3

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

2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 163229943) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
PubChem CID163229943
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol
SMILESCc1cc(F)c(O)c(/C=N/Nc2cnccn2)c1
InChIInChI=1S/C12H11FN4O/c1-8-4-9(12(18)10(13)5-8)6-16-17-11-7-14-2-3-15-11/h2-7,18H,1H3,(H,15,17)/b16-6+
InChIKeyCOMKEOMNADLDCQ-OMCISZLKSA-N
XLogP2.08
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
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)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol (CID 163229943) is 2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol is Cc1cc(F)c(O)c(/C=N/Nc2cnccn2)c1.
What is the InChIKey of 2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is COMKEOMNADLDCQ-OMCISZLKSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-8-4-9(12(18)10(13)5-8)6-16-17-11-7-14-2-3-15-11/h2-7,18H,1H3,(H,15,17)/b16-6+.
What are the key properties of 2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol?
2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 246.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-[(E)-(pyrazin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 163229943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).