5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine

C11H6ClF2N5 — CID 135201820

IUPAC5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)c1cc(-c2nc3nc(Cl)ccc3[nH]2)cnn1
InChIInChI=1S/C11H6ClF2N5/c12-8-2-1-6-11(17-8)18-10(16-6)5-3-7(9(13)14)19-15-4-5/h1-4,9H,(H,16,17,18)
InChIKeyLHFMMNUTLYUVBU-UHFFFAOYSA-N
MW281.65 g/mol
LogP3.01
Rot. Bonds2

About 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine

5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 135201820) has the molecular formula C11H6ClF2N5 and a molecular weight of 281.65 g/mol. Its IUPAC name is 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID135201820
Molecular FormulaC11H6ClF2N5
Molecular Weight281.65 g/mol
Exact Mass281.03
IUPAC Name5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)c1cc(-c2nc3nc(Cl)ccc3[nH]2)cnn1
InChIInChI=1S/C11H6ClF2N5/c12-8-2-1-6-11(17-8)18-10(16-6)5-3-7(9(13)14)19-15-4-5/h1-4,9H,(H,16,17,18)
InChIKeyLHFMMNUTLYUVBU-UHFFFAOYSA-N
XLogP3.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine (CID 135201820) is 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine is FC(F)c1cc(-c2nc3nc(Cl)ccc3[nH]2)cnn1.
What is the InChIKey of 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is LHFMMNUTLYUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2N5/c12-8-2-1-6-11(17-8)18-10(16-6)5-3-7(9(13)14)19-15-4-5/h1-4,9H,(H,16,17,18).
What are the key properties of 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine?
5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 281.65 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 135201820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).