6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde

C15H11F2N3O — CID 126708866

IUPAC6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde
SMILESCc1nc2ccc(-c3ccccc3C(F)F)nn2c1C=O
InChIInChI=1S/C15H11F2N3O/c1-9-13(8-21)20-14(18-9)7-6-12(19-20)10-4-2-3-5-11(10)15(16)17/h2-8,15H,1H3
InChIKeyHNTHOWNREFWFIA-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.45
Rot. Bonds3

About 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde

6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde (PubChem CID 126708866) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde
PubChem CID126708866
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde
SMILESCc1nc2ccc(-c3ccccc3C(F)F)nn2c1C=O
InChIInChI=1S/C15H11F2N3O/c1-9-13(8-21)20-14(18-9)7-6-12(19-20)10-4-2-3-5-11(10)15(16)17/h2-8,15H,1H3
InChIKeyHNTHOWNREFWFIA-UHFFFAOYSA-N
XLogP3.45
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 2818851
4-Amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 2818857
3-Acetyl-4,7-dimethyl-6-phenylpyrrolo[2,1-c][1,2,4]triazine-8-carbonitrile
CID 10870003
N-benzyl-2,6-dimethyl-imidazo[1,2-b]pyridazine-3-carboxamide
CID 118706491
2,8-dimethyl-N-(pyridazin-3-yl)-6-(2-(trifluoromethyl)phenyl) imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515529
[6-Chloro-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-(4-chloro-2-fluorophenyl)methanone
CID 138966665
7-(3,4-Difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 164946408
1-[8-(4-Fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
CID 8072869
7-ethyl-N,8-bis(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16488218
2-[2-(4-Fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]acetaldehyde
CID 87205880
2-[4-(Trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 87507761
2,8-Dimethyl-6-(2-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-3-amine
CID 89515298

Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde?
The IUPAC name of 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde (CID 126708866) is 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde?
The canonical SMILES for 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde is Cc1nc2ccc(-c3ccccc3C(F)F)nn2c1C=O.
What is the InChIKey of 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde?
The InChIKey is HNTHOWNREFWFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-9-13(8-21)20-14(18-9)7-6-12(19-20)10-4-2-3-5-11(10)15(16)17/h2-8,15H,1H3.
What are the key properties of 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde?
6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde has a molecular weight of 287.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethyl)phenyl]-2-methylimidazo[1,2-b]pyridazine-3-carbaldehyde is sourced from PubChem (CID 126708866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).