3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide

C48H37ClF4I6N11O4- — CID 158005042

IUPAC3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
SMILESC.COC(=O)c1cn2nc(-c3ccc(F)cc3)ccc2n1.Fc1ccc(-c2ccc(Cl)nn2)cc1.I.II.I[I-]I.Nc1ccc(-c2ccc(F)cc2)nn1.O=C(O)c1cn2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C14H10FN3O2.C13H8FN3O2.C10H6ClFN2.C10H8FN3.CH4.I3.I2.HI/c1-20-14(19)12-8-18-13(16-12)7-6-11(17-18)9-2-4-10(15)5-3-9;14-9-3-1-8(2-4-9)10-5-6-12-15-11(13(18)19)7-17(12)16-10;11-10-6-5-9(13-14-10)7-1-3-8(12)4-2-7;11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9;;1-3-2;1-2;/h2-8H,1H3;1-7H,(H,18,19);1-6H;1-6H,(H2,12,14);1H4;;;1H/q;;;;;-1;;
InChIKeyCASIQIKQCMYADX-UHFFFAOYSA-N
MW1704.77 g/mol
LogP11.16
Rot. Bonds6

About 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide

3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide (PubChem CID 158005042) has the molecular formula C48H37ClF4I6N11O4- and a molecular weight of 1704.77 g/mol. Its IUPAC name is 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide.

Molecular Properties

Compound Name3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
PubChem CID158005042
Molecular FormulaC48H37ClF4I6N11O4-
Molecular Weight1704.77 g/mol
Exact Mass1703.69
IUPAC Name3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
SMILESC.COC(=O)c1cn2nc(-c3ccc(F)cc3)ccc2n1.Fc1ccc(-c2ccc(Cl)nn2)cc1.I.II.I[I-]I.Nc1ccc(-c2ccc(F)cc2)nn1.O=C(O)c1cn2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C14H10FN3O2.C13H8FN3O2.C10H6ClFN2.C10H8FN3.CH4.I3.I2.HI/c1-20-14(19)12-8-18-13(16-12)7-6-11(17-18)9-2-4-10(15)5-3-9;14-9-3-1-8(2-4-9)10-5-6-12-15-11(13(18)19)7-17(12)16-10;11-10-6-5-9(13-14-10)7-1-3-8(12)4-2-7;11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9;;1-3-2;1-2;/h2-8H,1H3;1-7H,(H,18,19);1-6H;1-6H,(H2,12,14);1H4;;;1H/q;;;;;-1;;
InChIKeyCASIQIKQCMYADX-UHFFFAOYSA-N
XLogP11.16
TPSA201.56 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.77
LogP ≤ 511.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide with MolForge

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Related Compounds

methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
CID 158569775
4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
CID 158449509
6-(4-fluorophenyl)pyridazin-3-amine
CID 11030588
6-chloro-N-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxamide
CID 58216634
6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 138663784
methyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759675
6-(propan-2-ylamino)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 84685599
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 90246106
methyl 4-(6-amino-5-bromopyridazin-3-yl)benzoate;methyl 4-(6-aminopyridazin-3-yl)benzoate
CID 158639348
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 135397067

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?
The IUPAC name of 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide (CID 158005042) is 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide.
What is the SMILES notation for 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?
The canonical SMILES for 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide is C.COC(=O)c1cn2nc(-c3ccc(F)cc3)ccc2n1.Fc1ccc(-c2ccc(Cl)nn2)cc1.I.II.I[I-]I.Nc1ccc(-c2ccc(F)cc2)nn1.O=C(O)c1cn2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?
The InChIKey is CASIQIKQCMYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2.C13H8FN3O2.C10H6ClFN2.C10H8FN3.CH4.I3.I2.HI/c1-20-14(19)12-8-18-13(16-12)7-6-11(17-18)9-2-4-10(15)5-3-9;14-9-3-1-8(2-4-9)10-5-6-12-15-11(13(18)19)7-17(12)16-10;11-10-6-5-9(13-14-10)7-1-3-8(12)4-2-7;11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9;;1-3-2;1-2;/h2-8H,1H3;1-7H,(H,18,19);1-6H;1-6H,(H2,12,14);1H4;;;1H/q;;;;;-1;;.
What are the key properties of 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?
3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide has a molecular weight of 1704.77 g/mol, XLogP of 11.16, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-fluorophenyl)pyridazine;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)pyridazin-3-amine;methane;methyl 6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide is sourced from PubChem (CID 158005042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).