6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine

C10H9F2IN4 — CID 170838753

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
SMILESFC1(F)CCN(c2ccc3ncc(I)n3n2)C1
InChIInChI=1S/C10H9F2IN4/c11-10(12)3-4-16(6-10)9-2-1-8-14-5-7(13)17(8)15-9/h1-2,5H,3-4,6H2
InChIKeyKOUADDFBWLNYRN-UHFFFAOYSA-N
MW350.11 g/mol
LogP2.18
Rot. Bonds1

About 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine

6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine (PubChem CID 170838753) has the molecular formula C10H9F2IN4 and a molecular weight of 350.11 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
PubChem CID170838753
Molecular FormulaC10H9F2IN4
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
SMILESFC1(F)CCN(c2ccc3ncc(I)n3n2)C1
InChIInChI=1S/C10H9F2IN4/c11-10(12)3-4-16(6-10)9-2-1-8-14-5-7(13)17(8)15-9/h1-2,5H,3-4,6H2
InChIKeyKOUADDFBWLNYRN-UHFFFAOYSA-N
XLogP2.18
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
CID 170838751
1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 175313249
7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
CID 169237104
6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
CID 133480952
5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine
CID 162583240
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 131116353
2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-amine
CID 130704965
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362
4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133421191
6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane
CID 177223368
6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine
CID 160760632
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-amine
CID 146669273

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine (CID 170838753) is 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine is FC1(F)CCN(c2ccc3ncc(I)n3n2)C1.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine?
The InChIKey is KOUADDFBWLNYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2IN4/c11-10(12)3-4-16(6-10)9-2-1-8-14-5-7(13)17(8)15-9/h1-2,5H,3-4,6H2.
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine?
6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine has a molecular weight of 350.11 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine is sourced from PubChem (CID 170838753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).