(4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone

C14H8Cl2FN3O — CID 56954583

IUPAC(4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone
SMILESCc1nc2ccc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H8Cl2FN3O/c1-7-13(20-12(18-7)5-4-11(16)19-20)14(21)9-3-2-8(15)6-10(9)17/h2-6H,1H3
InChIKeyGIMRDGMAHSBGHG-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.71
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone

(4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone (PubChem CID 56954583) has the molecular formula C14H8Cl2FN3O and a molecular weight of 324.14 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone
PubChem CID56954583
Molecular FormulaC14H8Cl2FN3O
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name(4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone
SMILESCc1nc2ccc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H8Cl2FN3O/c1-7-13(20-12(18-7)5-4-11(16)19-20)14(21)9-3-2-8(15)6-10(9)17/h2-6H,1H3
InChIKeyGIMRDGMAHSBGHG-UHFFFAOYSA-N
XLogP3.71
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone (CID 56954583) is (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone is Cc1nc2ccc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone?
The InChIKey is GIMRDGMAHSBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O/c1-7-13(20-12(18-7)5-4-11(16)19-20)14(21)9-3-2-8(15)6-10(9)17/h2-6H,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone?
(4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone has a molecular weight of 324.14 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)methanone is sourced from PubChem (CID 56954583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).