methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate

C12H9F2N3O2 — CID 150713146

IUPACmethyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1N
InChIInChI=1S/C12H9F2N3O2/c1-19-12(18)11-8(15)5-9(16-17-11)10-6(13)3-2-4-7(10)14/h2-5H,1H3,(H2,15,16)
InChIKeyJOHZXLDFYCOIDJ-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.79
Rot. Bonds2

About methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate

methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate (PubChem CID 150713146) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate
PubChem CID150713146
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Namemethyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1N
InChIInChI=1S/C12H9F2N3O2/c1-19-12(18)11-8(15)5-9(16-17-11)10-6(13)3-2-4-7(10)14/h2-5H,1H3,(H2,15,16)
InChIKeyJOHZXLDFYCOIDJ-UHFFFAOYSA-N
XLogP1.79
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-6-fluoro-3-cinnolinecarboxylic acid
CID 3074774
3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate
CID 3074775
Methyl 6-(4-fluorophenyl)-4-methylpyridazine-3-carboxylate
CID 15274286
Methyl 6-(4-fluorophenyl)triazine-4-carboxylate
CID 177851039
Ethyl 4-aminocinnoline-3-carboxylate
CID 10512942
Dimethyl 4-amino-5-benzoylpyridazine-3,6-dicarboxylate
CID 11702419
Dimethyl 4-methyl-6-phenylpyridazine-3,5-di-carboxylate
CID 12155448
Dimethyl 6-methyl-4-phenylpyridazine--3,5-di-carboxylate
CID 12155449
Dimethyl 4-phenylpyridazine-3,6-dicarboxylate
CID 14744314
Methyl 6-phenylpyridazine-3-carboxylate
CID 11769839
Methyl 5-methyl-6-phenylpyridazine-3-carboxylate
CID 15274284
Ethyl 5-fluoro-6-phenylpyridazine-3-carboxylate
CID 122389397

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate?
The IUPAC name of methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate (CID 150713146) is methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1N.
What is the InChIKey of methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate?
The InChIKey is JOHZXLDFYCOIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c1-19-12(18)11-8(15)5-9(16-17-11)10-6(13)3-2-4-7(10)14/h2-5H,1H3,(H2,15,16).
What are the key properties of methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate?
methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate has a molecular weight of 265.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(2,6-difluorophenyl)pyridazine-3-carboxylate is sourced from PubChem (CID 150713146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).