[(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine

C6H6FN3 — CID 170093949

IUPAC[(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine
SMILES[H]/N=C/N1C=CN=C/C1=C/F
InChIInChI=1S/C6H6FN3/c7-3-6-4-9-1-2-10(6)5-8/h1-5,8H/b6-3-,8-5+
InChIKeyCJNZBWWIDMGMLD-LILZIHMPSA-N
MW139.13 g/mol
LogP1.26
Rot. Bonds1

About [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine

[(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine (PubChem CID 170093949) has the molecular formula C6H6FN3 and a molecular weight of 139.13 g/mol. Its IUPAC name is [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine.

Molecular Properties

Compound Name[(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine
PubChem CID170093949
Molecular FormulaC6H6FN3
Molecular Weight139.13 g/mol
Exact Mass139.05
IUPAC Name[(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine
SMILES[H]/N=C/N1C=CN=C/C1=C/F
InChIInChI=1S/C6H6FN3/c7-3-6-4-9-1-2-10(6)5-8/h1-5,8H/b6-3-,8-5+
InChIKeyCJNZBWWIDMGMLD-LILZIHMPSA-N
XLogP1.26
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 129049065
CID 129049065
CID 145045460
CID 145045460
CID 145045461
CID 145045461

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine?
The IUPAC name of [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine (CID 170093949) is [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine.
What is the SMILES notation for [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine?
The canonical SMILES for [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine is [H]/N=C/N1C=CN=C/C1=C/F.
What is the InChIKey of [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine?
The InChIKey is CJNZBWWIDMGMLD-LILZIHMPSA-N. The full InChI is InChI=1S/C6H6FN3/c7-3-6-4-9-1-2-10(6)5-8/h1-5,8H/b6-3-,8-5+.
What are the key properties of [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine?
[(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine has a molecular weight of 139.13 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine is sourced from PubChem (CID 170093949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).