ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate

C13H12FN3O2 — CID 155250944

IUPACethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnccc1Nc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O2/c1-2-19-13(18)12-11(7-8-15-17-12)16-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyDCMZJMODPSPTER-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.54
Rot. Bonds4

About ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate

ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate (PubChem CID 155250944) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate
PubChem CID155250944
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Nameethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnccc1Nc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O2/c1-2-19-13(18)12-11(7-8-15-17-12)16-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyDCMZJMODPSPTER-UHFFFAOYSA-N
XLogP2.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
CID 59769268
ethyl 4-amino-1-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazole-3-carboxylate
CID 68637919
4-[2-(2,4,6-Trifluorophenyl)-acetylamino]-pyridazine-3-carboxylic acid ethyl ester
CID 68937298
Methyl 4-(4-fluoroanilino)-1-methylpyrazole-5-carboxylate
CID 69013734
Ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 129276811
4-[(4-Fluorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 151578022
Ethyl 6-chloro-4-(4-fluoroanilino)pyridazine-3-carboxylate
CID 155250928
4-(4-Fluoroanilino)pyridazine-3-carboxylic acid
CID 155250939
Methyl 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 156465464
4-[(4-Fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 162446656
Ethyl 3-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pyridine-2-carboxylate
CID 98954640
Methyl 4-amino-1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344449

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate (CID 155250944) is ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate is CCOC(=O)c1nnccc1Nc1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate?
The InChIKey is DCMZJMODPSPTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-2-19-13(18)12-11(7-8-15-17-12)16-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate?
ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate has a molecular weight of 261.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluoroanilino)pyridazine-3-carboxylate is sourced from PubChem (CID 155250944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).