6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile

C16H11ClF2N4 — CID 157034762

IUPAC6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile
SMILESFc1cnc2c(C3CC3)cc(Cl)nn12.N#Cc1cccc(F)c1
InChIInChI=1S/C9H7ClFN3.C7H4FN/c10-7-3-6(5-1-2-5)9-12-4-8(11)14(9)13-7;8-7-3-1-2-6(4-7)5-9/h3-5H,1-2H2;1-4H
InChIKeyKGSCLMZLGLZAHI-UHFFFAOYSA-N
MW332.74 g/mol
LogP4.10
Rot. Bonds1

About 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile

6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile (PubChem CID 157034762) has the molecular formula C16H11ClF2N4 and a molecular weight of 332.74 g/mol. Its IUPAC name is 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile.

Molecular Properties

Compound Name6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile
PubChem CID157034762
Molecular FormulaC16H11ClF2N4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile
SMILESFc1cnc2c(C3CC3)cc(Cl)nn12.N#Cc1cccc(F)c1
InChIInChI=1S/C9H7ClFN3.C7H4FN/c10-7-3-6(5-1-2-5)9-12-4-8(11)14(9)13-7;8-7-3-1-2-6(4-7)5-9/h3-5H,1-2H2;1-4H
InChIKeyKGSCLMZLGLZAHI-UHFFFAOYSA-N
XLogP4.10
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile?
The IUPAC name of 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile (CID 157034762) is 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile.
What is the SMILES notation for 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile?
The canonical SMILES for 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile is Fc1cnc2c(C3CC3)cc(Cl)nn12.N#Cc1cccc(F)c1.
What is the InChIKey of 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile?
The InChIKey is KGSCLMZLGLZAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3.C7H4FN/c10-7-3-6(5-1-2-5)9-12-4-8(11)14(9)13-7;8-7-3-1-2-6(4-7)5-9/h3-5H,1-2H2;1-4H.
What are the key properties of 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile?
6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile has a molecular weight of 332.74 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazine;3-fluorobenzonitrile is sourced from PubChem (CID 157034762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).