3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid

C14H9F2N3O3 — CID 118863066

IUPAC3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESCOc1c(F)cc(-c2c(C(=O)O)nc3cccnn23)cc1F
InChIInChI=1S/C14H9F2N3O3/c1-22-13-8(15)5-7(6-9(13)16)12-11(14(20)21)18-10-3-2-4-17-19(10)12/h2-6H,1H3,(H,20,21)
InChIKeyMYFDSCWMTQHTAX-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.38
Rot. Bonds3

About 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid

3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 118863066) has the molecular formula C14H9F2N3O3 and a molecular weight of 305.24 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID118863066
Molecular FormulaC14H9F2N3O3
Molecular Weight305.24 g/mol
Exact Mass305.06
IUPAC Name3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESCOc1c(F)cc(-c2c(C(=O)O)nc3cccnn23)cc1F
InChIInChI=1S/C14H9F2N3O3/c1-22-13-8(15)5-7(6-9(13)16)12-11(14(20)21)18-10-3-2-4-17-19(10)12/h2-6H,1H3,(H,20,21)
InChIKeyMYFDSCWMTQHTAX-UHFFFAOYSA-N
XLogP2.38
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid (CID 118863066) is 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid is COc1c(F)cc(-c2c(C(=O)O)nc3cccnn23)cc1F.
What is the InChIKey of 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is MYFDSCWMTQHTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3/c1-22-13-8(15)5-7(6-9(13)16)12-11(14(20)21)18-10-3-2-4-17-19(10)12/h2-6H,1H3,(H,20,21).
What are the key properties of 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 305.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 118863066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).