6-fluoropyridazine-3-carbonitrile

C5H2FN3 — CID 57415865

IUPAC6-fluoropyridazine-3-carbonitrile
SMILESN#Cc1ccc(F)nn1
InChIInChI=1S/C5H2FN3/c6-5-2-1-4(3-7)8-9-5/h1-2H
InChIKeyNTDISTIQLNPEDF-UHFFFAOYSA-N
MW123.09 g/mol
LogP0.49
Rot. Bonds

About 6-fluoropyridazine-3-carbonitrile

6-fluoropyridazine-3-carbonitrile (PubChem CID 57415865) has the molecular formula C5H2FN3 and a molecular weight of 123.09 g/mol. Its IUPAC name is 6-fluoropyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-fluoropyridazine-3-carbonitrile
PubChem CID57415865
Molecular FormulaC5H2FN3
Molecular Weight123.09 g/mol
Exact Mass123.02
IUPAC Name6-fluoropyridazine-3-carbonitrile
SMILESN#Cc1ccc(F)nn1
InChIInChI=1S/C5H2FN3/c6-5-2-1-4(3-7)8-9-5/h1-2H
InChIKeyNTDISTIQLNPEDF-UHFFFAOYSA-N
XLogP0.49
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.09
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoropyridazine-3-carbonitrile?
The IUPAC name of 6-fluoropyridazine-3-carbonitrile (CID 57415865) is 6-fluoropyridazine-3-carbonitrile.
What is the SMILES notation for 6-fluoropyridazine-3-carbonitrile?
The canonical SMILES for 6-fluoropyridazine-3-carbonitrile is N#Cc1ccc(F)nn1.
What is the InChIKey of 6-fluoropyridazine-3-carbonitrile?
The InChIKey is NTDISTIQLNPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2FN3/c6-5-2-1-4(3-7)8-9-5/h1-2H.
What are the key properties of 6-fluoropyridazine-3-carbonitrile?
6-fluoropyridazine-3-carbonitrile has a molecular weight of 123.09 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyridazine-3-carbonitrile is sourced from PubChem (CID 57415865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).