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

C14H9ClFN3O — CID 90035582

IUPAC(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone
SMILESCc1nc2ccc(Cl)nn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3O/c1-8-13(14(20)9-2-4-10(16)5-3-9)19-12(17-8)7-6-11(15)18-19/h2-7H,1H3
InChIKeySRCRSBYRAYWZRS-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.06
Rot. Bonds2

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

(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone (PubChem CID 90035582) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone
PubChem CID90035582
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone
SMILESCc1nc2ccc(Cl)nn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3O/c1-8-13(14(20)9-2-4-10(16)5-3-9)19-12(17-8)7-6-11(15)18-19/h2-7H,1H3
InChIKeySRCRSBYRAYWZRS-UHFFFAOYSA-N
XLogP3.06
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone (CID 90035582) is (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone is Cc1nc2ccc(Cl)nn2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone?
The InChIKey is SRCRSBYRAYWZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c1-8-13(14(20)9-2-4-10(16)5-3-9)19-12(17-8)7-6-11(15)18-19/h2-7H,1H3.
What are the key properties of (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone?
(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone has a molecular weight of 289.70 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 90035582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).