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

C11H5ClF3N5 — CID 135201262

IUPAC5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc(-c2nc3nc(Cl)ccc3[nH]2)cnn1
InChIInChI=1S/C11H5ClF3N5/c12-8-2-1-6-10(18-8)19-9(17-6)5-3-7(11(13,14)15)20-16-4-5/h1-4H,(H,17,18,19)
InChIKeyOSBULQYSSZGWQI-UHFFFAOYSA-N
MW299.64 g/mol
LogP3.09
Rot. Bonds1

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

5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 135201262) has the molecular formula C11H5ClF3N5 and a molecular weight of 299.64 g/mol. Its IUPAC name is 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID135201262
Molecular FormulaC11H5ClF3N5
Molecular Weight299.64 g/mol
Exact Mass299.02
IUPAC Name5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc(-c2nc3nc(Cl)ccc3[nH]2)cnn1
InChIInChI=1S/C11H5ClF3N5/c12-8-2-1-6-10(18-8)19-9(17-6)5-3-7(11(13,14)15)20-16-4-5/h1-4H,(H,17,18,19)
InChIKeyOSBULQYSSZGWQI-UHFFFAOYSA-N
XLogP3.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.64
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 135201820
2-(4-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904057
2-(3-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904047
2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile
CID 135201677
5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 24904041
[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium
CID 137254292
2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821392
5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 166873266
5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid
CID 159753529
5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90357310
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821482
2-(3,4-difluorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820975

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine (CID 135201262) is 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1cc(-c2nc3nc(Cl)ccc3[nH]2)cnn1.
What is the InChIKey of 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is OSBULQYSSZGWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N5/c12-8-2-1-6-10(18-8)19-9(17-6)5-3-7(11(13,14)15)20-16-4-5/h1-4H,(H,17,18,19).
What are the key properties of 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine?
5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 299.64 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 135201262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).