6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile

C7H2Cl2N4 — CID 86644108

IUPAC6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile
SMILESN#Cc1c(Cl)nn2ccnc2c1Cl
InChIInChI=1S/C7H2Cl2N4/c8-5-4(3-10)6(9)12-13-2-1-11-7(5)13/h1-2H
InChIKeyVBMFGDVVNAROAZ-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.91
Rot. Bonds

About 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile

6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile (PubChem CID 86644108) has the molecular formula C7H2Cl2N4 and a molecular weight of 213.03 g/mol. Its IUPAC name is 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile.

Molecular Properties

Compound Name6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile
PubChem CID86644108
Molecular FormulaC7H2Cl2N4
Molecular Weight213.03 g/mol
Exact Mass211.97
IUPAC Name6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile
SMILESN#Cc1c(Cl)nn2ccnc2c1Cl
InChIInChI=1S/C7H2Cl2N4/c8-5-4(3-10)6(9)12-13-2-1-11-7(5)13/h1-2H
InChIKeyVBMFGDVVNAROAZ-UHFFFAOYSA-N
XLogP1.91
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile?
The IUPAC name of 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile (CID 86644108) is 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile.
What is the SMILES notation for 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile?
The canonical SMILES for 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile is N#Cc1c(Cl)nn2ccnc2c1Cl.
What is the InChIKey of 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile?
The InChIKey is VBMFGDVVNAROAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N4/c8-5-4(3-10)6(9)12-13-2-1-11-7(5)13/h1-2H.
What are the key properties of 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile?
6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile is sourced from PubChem (CID 86644108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).