6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine

C17H11FN6O2 — CID 177316439

IUPAC6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1c(-c2cccnc2[N+](=O)[O-])nc2ccc(-c3ccc(F)cn3)nn12
InChIInChI=1S/C17H11FN6O2/c1-10-16(12-3-2-8-19-17(12)24(25)26)21-15-7-6-14(22-23(10)15)13-5-4-11(18)9-20-13/h2-9H,1H3
InChIKeyJFJQNOBQVVPVBO-UHFFFAOYSA-N
MW350.31 g/mol
LogP3.21
Rot. Bonds3

About 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine

6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 177316439) has the molecular formula C17H11FN6O2 and a molecular weight of 350.31 g/mol. Its IUPAC name is 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID177316439
Molecular FormulaC17H11FN6O2
Molecular Weight350.31 g/mol
Exact Mass350.09
IUPAC Name6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1c(-c2cccnc2[N+](=O)[O-])nc2ccc(-c3ccc(F)cn3)nn12
InChIInChI=1S/C17H11FN6O2/c1-10-16(12-3-2-8-19-17(12)24(25)26)21-15-7-6-14(22-23(10)15)13-5-4-11(18)9-20-13/h2-9H,1H3
InChIKeyJFJQNOBQVVPVBO-UHFFFAOYSA-N
XLogP3.21
TPSA99.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine
CID 177316285
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-nitropyridine
CID 135041627
3-methylsulfanyl-2-nitropyridine
CID 130771705
3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854941
ethane;3-[3-(5-fluoro-2-pyridinyl)-8-methylpyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine
CID 177316248
3-methoxy-2-nitropyridine
CID 556063
[4-[2-[(Z)-3-(5-fluoro-2-pyridinyl)-3-iminoprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol
CID 177316297
5-fluoro-2-methoxy-3-[(1R)-1-[(2-nitro-3-pyridinyl)oxy]ethyl]pyridine
CID 124675029
6-bromo-2-(5-fluoro-2-pyridinyl)-5-methylimidazo[1,2-a]pyridine
CID 83129559
methyl 2-methyl-4,6-bis(2-nitro-3-pyridinyl)pyridine-3-carboxylate
CID 10524721
3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854958
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-nitropyridin-3-amine
CID 115689674

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine (CID 177316439) is 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine is Cc1c(-c2cccnc2[N+](=O)[O-])nc2ccc(-c3ccc(F)cn3)nn12.
What is the InChIKey of 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is JFJQNOBQVVPVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6O2/c1-10-16(12-3-2-8-19-17(12)24(25)26)21-15-7-6-14(22-23(10)15)13-5-4-11(18)9-20-13/h2-9H,1H3.
What are the key properties of 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine?
6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 350.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 177316439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).