2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile

C13H8ClN5O — CID 163228810

IUPAC2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(-c2cnc3ccc(Cl)nn23)c1C#N
InChIInChI=1S/C13H8ClN5O/c1-20-10-4-5-16-13(8(10)6-15)9-7-17-12-3-2-11(14)18-19(9)12/h2-5,7H,1H3
InChIKeyPAQRZUBQXLAFOW-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.32
Rot. Bonds2

About 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile (PubChem CID 163228810) has the molecular formula C13H8ClN5O and a molecular weight of 285.69 g/mol. Its IUPAC name is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile
PubChem CID163228810
Molecular FormulaC13H8ClN5O
Molecular Weight285.69 g/mol
Exact Mass285.04
IUPAC Name2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(-c2cnc3ccc(Cl)nn23)c1C#N
InChIInChI=1S/C13H8ClN5O/c1-20-10-4-5-16-13(8(10)6-15)9-7-17-12-3-2-11(14)18-19(9)12/h2-5,7H,1H3
InChIKeyPAQRZUBQXLAFOW-UHFFFAOYSA-N
XLogP2.32
TPSA76.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile (CID 163228810) is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile is COc1ccnc(-c2cnc3ccc(Cl)nn23)c1C#N.
What is the InChIKey of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile?
The InChIKey is PAQRZUBQXLAFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O/c1-20-10-4-5-16-13(8(10)6-15)9-7-17-12-3-2-11(14)18-19(9)12/h2-5,7H,1H3.
What are the key properties of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile?
2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile has a molecular weight of 285.69 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 163228810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).