1-(3-chlorocinnolin-7-yl)ethanimine

C10H8ClN3 — CID 137388559

IUPAC1-(3-chlorocinnolin-7-yl)ethanimine
SMILES[H]/N=C(\C)c1ccc2cc(Cl)nnc2c1
InChIInChI=1S/C10H8ClN3/c1-6(12)7-2-3-8-5-10(11)14-13-9(8)4-7/h2-5,12H,1H3/b12-6+
InChIKeySJFWTHGWKIYQCK-WUXMJOGZSA-N
MW205.65 g/mol
LogP2.67
Rot. Bonds1

About 1-(3-chlorocinnolin-7-yl)ethanimine

1-(3-chlorocinnolin-7-yl)ethanimine (PubChem CID 137388559) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 1-(3-chlorocinnolin-7-yl)ethanimine.

Molecular Properties

Compound Name1-(3-chlorocinnolin-7-yl)ethanimine
PubChem CID137388559
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name1-(3-chlorocinnolin-7-yl)ethanimine
SMILES[H]/N=C(\C)c1ccc2cc(Cl)nnc2c1
InChIInChI=1S/C10H8ClN3/c1-6(12)7-2-3-8-5-10(11)14-13-9(8)4-7/h2-5,12H,1H3/b12-6+
InChIKeySJFWTHGWKIYQCK-WUXMJOGZSA-N
XLogP2.67
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.67
H-Bond Donors ≤ 51
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 1-(3-chlorocinnolin-7-yl)ethanimine?
The IUPAC name of 1-(3-chlorocinnolin-7-yl)ethanimine (CID 137388559) is 1-(3-chlorocinnolin-7-yl)ethanimine.
What is the SMILES notation for 1-(3-chlorocinnolin-7-yl)ethanimine?
The canonical SMILES for 1-(3-chlorocinnolin-7-yl)ethanimine is [H]/N=C(\C)c1ccc2cc(Cl)nnc2c1.
What is the InChIKey of 1-(3-chlorocinnolin-7-yl)ethanimine?
The InChIKey is SJFWTHGWKIYQCK-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-6(12)7-2-3-8-5-10(11)14-13-9(8)4-7/h2-5,12H,1H3/b12-6+.
What are the key properties of 1-(3-chlorocinnolin-7-yl)ethanimine?
1-(3-chlorocinnolin-7-yl)ethanimine has a molecular weight of 205.65 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocinnolin-7-yl)ethanimine is sourced from PubChem (CID 137388559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).