3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile

C13H7ClN4 — CID 46835564

IUPAC3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2cn3nc(Cl)ccc3n2)c1
InChIInChI=1S/C13H7ClN4/c14-12-4-5-13-16-11(8-18(13)17-12)10-3-1-2-9(6-10)7-15/h1-6,8H
InChIKeyYBEQOLPTZPSMNQ-UHFFFAOYSA-N
MW254.68 g/mol
LogP2.92
Rot. Bonds1

About 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile

3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile (PubChem CID 46835564) has the molecular formula C13H7ClN4 and a molecular weight of 254.68 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
PubChem CID46835564
Molecular FormulaC13H7ClN4
Molecular Weight254.68 g/mol
Exact Mass254.04
IUPAC Name3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2cn3nc(Cl)ccc3n2)c1
InChIInChI=1S/C13H7ClN4/c14-12-4-5-13-16-11(8-18(13)17-12)10-3-1-2-9(6-10)7-15/h1-6,8H
InChIKeyYBEQOLPTZPSMNQ-UHFFFAOYSA-N
XLogP2.92
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(4-phenylphenyl)imidazo[1,2-b]pyridazine
CID 15032578
6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
CID 15749998
3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 122476393
2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazine
CID 10379220
3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 107646385
3-(6-chloropyrimidin-4-yl)benzonitrile
CID 19988636
3-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 63990563
5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)thiophen-2-amine
CID 83854237
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 80952960
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
CID 18612646
3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 70869874

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile?
The IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile (CID 46835564) is 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile?
The canonical SMILES for 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile is N#Cc1cccc(-c2cn3nc(Cl)ccc3n2)c1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile?
The InChIKey is YBEQOLPTZPSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4/c14-12-4-5-13-16-11(8-18(13)17-12)10-3-1-2-9(6-10)7-15/h1-6,8H.
What are the key properties of 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile?
3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile has a molecular weight of 254.68 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile is sourced from PubChem (CID 46835564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).