5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine

C14H9ClF3N5 — CID 135186326

IUPAC5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc(-c2nc3ccc(Cl)nc3n2C2CC2)cnn1
InChIInChI=1S/C14H9ClF3N5/c15-11-4-3-9-13(21-11)23(8-1-2-8)12(20-9)7-5-10(14(16,17)18)22-19-6-7/h3-6,8H,1-2H2
InChIKeyYZFMPISULHVMDV-UHFFFAOYSA-N
MW339.71 g/mol
LogP3.90
Rot. Bonds2

About 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine

5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 135186326) has the molecular formula C14H9ClF3N5 and a molecular weight of 339.71 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine
PubChem CID135186326
Molecular FormulaC14H9ClF3N5
Molecular Weight339.71 g/mol
Exact Mass339.05
IUPAC Name5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc(-c2nc3ccc(Cl)nc3n2C2CC2)cnn1
InChIInChI=1S/C14H9ClF3N5/c15-11-4-3-9-13(21-11)23(8-1-2-8)12(20-9)7-5-10(14(16,17)18)22-19-6-7/h3-6,8H,1-2H2
InChIKeyYZFMPISULHVMDV-UHFFFAOYSA-N
XLogP3.90
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.71
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine (CID 135186326) is 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine is FC(F)(F)c1cc(-c2nc3ccc(Cl)nc3n2C2CC2)cnn1.
What is the InChIKey of 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is YZFMPISULHVMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5/c15-11-4-3-9-13(21-11)23(8-1-2-8)12(20-9)7-5-10(14(16,17)18)22-19-6-7/h3-6,8H,1-2H2.
What are the key properties of 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine?
5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 339.71 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-2-[6-(trifluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 135186326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).