N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine

C6H3ClF3N3 — CID 166810880

IUPACN-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine
SMILESC=Nc1cc(C(F)(F)F)c(Cl)nn1
InChIInChI=1S/C6H3ClF3N3/c1-11-4-2-3(6(8,9)10)5(7)13-12-4/h2H,1H2
InChIKeyVSIWZQWVVTYAJE-UHFFFAOYSA-N
MW209.56 g/mol
LogP2.48
Rot. Bonds1

About N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine

N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine (PubChem CID 166810880) has the molecular formula C6H3ClF3N3 and a molecular weight of 209.56 g/mol. Its IUPAC name is N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine.

Molecular Properties

Compound NameN-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine
PubChem CID166810880
Molecular FormulaC6H3ClF3N3
Molecular Weight209.56 g/mol
Exact Mass209.00
IUPAC NameN-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine
SMILESC=Nc1cc(C(F)(F)F)c(Cl)nn1
InChIInChI=1S/C6H3ClF3N3/c1-11-4-2-3(6(8,9)10)5(7)13-12-4/h2H,1H2
InChIKeyVSIWZQWVVTYAJE-UHFFFAOYSA-N
XLogP2.48
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.56
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine?
The IUPAC name of N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine (CID 166810880) is N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine.
What is the SMILES notation for N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine?
The canonical SMILES for N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine is C=Nc1cc(C(F)(F)F)c(Cl)nn1.
What is the InChIKey of N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine?
The InChIKey is VSIWZQWVVTYAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3N3/c1-11-4-2-3(6(8,9)10)5(7)13-12-4/h2H,1H2.
What are the key properties of N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine?
N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine has a molecular weight of 209.56 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(trifluoromethyl)pyridazin-3-yl]methanimine is sourced from PubChem (CID 166810880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).