6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid

C14H8F3N3O2 — CID 68742881

IUPAC6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cn2nc(-c3ccccc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)9-6-10(8-4-2-1-3-5-8)19-20-7-11(13(21)22)18-12(9)20/h1-7H,(H,21,22)
InChIKeyAKOSSXNIUAHXOG-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.11
Rot. Bonds2

About 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid

6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 68742881) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID68742881
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cn2nc(-c3ccccc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)9-6-10(8-4-2-1-3-5-8)19-20-7-11(13(21)22)18-12(9)20/h1-7H,(H,21,22)
InChIKeyAKOSSXNIUAHXOG-UHFFFAOYSA-N
XLogP3.11
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-7-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one
CID 123422117
2,2-dimethylpropyl 4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 123231964
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
benzyl 4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazine-1-carboxylate;ethyl 4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazine-1-carboxylate;(2R)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
CID 159535221
6-phenylpyridine-2,4-dicarboxylic acid
CID 10633973
2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one
CID 17458550
2,5-dimethyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4974601
2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide
CID 172825282
6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 121205087
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 31057462
2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 15587573

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid (CID 68742881) is 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid is O=C(O)c1cn2nc(-c3ccccc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is AKOSSXNIUAHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)9-6-10(8-4-2-1-3-5-8)19-20-7-11(13(21)22)18-12(9)20/h1-7H,(H,21,22).
What are the key properties of 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid?
6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 307.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 68742881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).