4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline

C12H8ClFN4O — CID 166545288

IUPAC4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline
SMILESNc1ccc(Oc2cc(Cl)nn3ccnc23)c(F)c1
InChIInChI=1S/C12H8ClFN4O/c13-11-6-10(12-16-3-4-18(12)17-11)19-9-2-1-7(15)5-8(9)14/h1-6H,15H2
InChIKeyIHGKCRZLBABGKF-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.90
Rot. Bonds2

About 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline

4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline (PubChem CID 166545288) has the molecular formula C12H8ClFN4O and a molecular weight of 278.67 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline
PubChem CID166545288
Molecular FormulaC12H8ClFN4O
Molecular Weight278.67 g/mol
Exact Mass278.04
IUPAC Name4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline
SMILESNc1ccc(Oc2cc(Cl)nn3ccnc23)c(F)c1
InChIInChI=1S/C12H8ClFN4O/c13-11-6-10(12-16-3-4-18(12)17-11)19-9-2-1-7(15)5-8(9)14/h1-6H,15H2
InChIKeyIHGKCRZLBABGKF-UHFFFAOYSA-N
XLogP2.90
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol
CID 76850851
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423
N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide
CID 164738458
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(4-amino-2-fluorophenoxy)-N-(1-methoxy-2-methylpropan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-amine
CID 146432474
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
CID 169150219
2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
CID 63083303
4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine
CID 171509235
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline?
The IUPAC name of 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline (CID 166545288) is 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline?
The canonical SMILES for 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline is Nc1ccc(Oc2cc(Cl)nn3ccnc23)c(F)c1.
What is the InChIKey of 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline?
The InChIKey is IHGKCRZLBABGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O/c13-11-6-10(12-16-3-4-18(12)17-11)19-9-2-1-7(15)5-8(9)14/h1-6H,15H2.
What are the key properties of 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline?
4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline has a molecular weight of 278.67 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline is sourced from PubChem (CID 166545288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).