2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole

C15H11ClFN3 — CID 135188071

IUPAC2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole
SMILESFc1ccc2cc(-c3cnnc(Cl)c3)n(C3CC3)c2c1
InChIInChI=1S/C15H11ClFN3/c16-15-6-10(8-18-19-15)13-5-9-1-2-11(17)7-14(9)20(13)12-3-4-12/h1-2,5-8,12H,3-4H2
InChIKeyQOPYWCBKAOAUKL-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.23
Rot. Bonds2

About 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole

2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole (PubChem CID 135188071) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole.

Molecular Properties

Compound Name2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole
PubChem CID135188071
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole
SMILESFc1ccc2cc(-c3cnnc(Cl)c3)n(C3CC3)c2c1
InChIInChI=1S/C15H11ClFN3/c16-15-6-10(8-18-19-15)13-5-9-1-2-11(17)7-14(9)20(13)12-3-4-12/h1-2,5-8,12H,3-4H2
InChIKeyQOPYWCBKAOAUKL-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole?
The IUPAC name of 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole (CID 135188071) is 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole.
What is the SMILES notation for 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole?
The canonical SMILES for 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole is Fc1ccc2cc(-c3cnnc(Cl)c3)n(C3CC3)c2c1.
What is the InChIKey of 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole?
The InChIKey is QOPYWCBKAOAUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-15-6-10(8-18-19-15)13-5-9-1-2-11(17)7-14(9)20(13)12-3-4-12/h1-2,5-8,12H,3-4H2.
What are the key properties of 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole?
2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole has a molecular weight of 287.73 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole is sourced from PubChem (CID 135188071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).