6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine

C7H5ClIN3 — CID 46941643

IUPAC6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(Cl)nn2c1I
InChIInChI=1S/C7H5ClIN3/c1-4-7(9)12-6(10-4)3-2-5(8)11-12/h2-3H,1H3
InChIKeyNVCVFLNSNUNJIC-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.30
Rot. Bonds

About 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine

6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine (PubChem CID 46941643) has the molecular formula C7H5ClIN3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine
PubChem CID46941643
Molecular FormulaC7H5ClIN3
Molecular Weight293.50 g/mol
Exact Mass292.92
IUPAC Name6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(Cl)nn2c1I
InChIInChI=1S/C7H5ClIN3/c1-4-7(9)12-6(10-4)3-2-5(8)11-12/h2-3H,1H3
InChIKeyNVCVFLNSNUNJIC-UHFFFAOYSA-N
XLogP2.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine (CID 46941643) is 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine is Cc1nc2ccc(Cl)nn2c1I.
What is the InChIKey of 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is NVCVFLNSNUNJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClIN3/c1-4-7(9)12-6(10-4)3-2-5(8)11-12/h2-3H,1H3.
What are the key properties of 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine?
6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 293.50 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 46941643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).