(2,6-dichloroquinolin-3-yl)methanimine

C10H6Cl2N2 — CID 139304192

IUPAC(2,6-dichloroquinolin-3-yl)methanimine
SMILES[H]/N=C/c1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C10H6Cl2N2/c11-8-1-2-9-6(4-8)3-7(5-13)10(12)14-9/h1-5,13H/b13-5+
InChIKeyUJYPBGNEYWZDEM-WLRTZDKTSA-N
MW225.08 g/mol
LogP3.54
Rot. Bonds1

About (2,6-dichloroquinolin-3-yl)methanimine

(2,6-dichloroquinolin-3-yl)methanimine (PubChem CID 139304192) has the molecular formula C10H6Cl2N2 and a molecular weight of 225.08 g/mol. Its IUPAC name is (2,6-dichloroquinolin-3-yl)methanimine.

Molecular Properties

Compound Name(2,6-dichloroquinolin-3-yl)methanimine
PubChem CID139304192
Molecular FormulaC10H6Cl2N2
Molecular Weight225.08 g/mol
Exact Mass223.99
IUPAC Name(2,6-dichloroquinolin-3-yl)methanimine
SMILES[H]/N=C/c1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C10H6Cl2N2/c11-8-1-2-9-6(4-8)3-7(5-13)10(12)14-9/h1-5,13H/b13-5+
InChIKeyUJYPBGNEYWZDEM-WLRTZDKTSA-N
XLogP3.54
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloroquinolin-3-yl)methanimine?
The IUPAC name of (2,6-dichloroquinolin-3-yl)methanimine (CID 139304192) is (2,6-dichloroquinolin-3-yl)methanimine.
What is the SMILES notation for (2,6-dichloroquinolin-3-yl)methanimine?
The canonical SMILES for (2,6-dichloroquinolin-3-yl)methanimine is [H]/N=C/c1cc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of (2,6-dichloroquinolin-3-yl)methanimine?
The InChIKey is UJYPBGNEYWZDEM-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H6Cl2N2/c11-8-1-2-9-6(4-8)3-7(5-13)10(12)14-9/h1-5,13H/b13-5+.
What are the key properties of (2,6-dichloroquinolin-3-yl)methanimine?
(2,6-dichloroquinolin-3-yl)methanimine has a molecular weight of 225.08 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloroquinolin-3-yl)methanimine is sourced from PubChem (CID 139304192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).