ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate

C13H10ClF3N4O2 — CID 90103466

IUPACethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(Cl)cc1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H10ClF3N4O2/c1-2-23-12(22)11-7(6-9(14)20-21-11)18-10-5-3-4-8(19-10)13(15,16)17/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyVCBOBBVRLRONKO-UHFFFAOYSA-N
MW346.70 g/mol
LogP3.46
Rot. Bonds4

About ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate

ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate (PubChem CID 90103466) has the molecular formula C13H10ClF3N4O2 and a molecular weight of 346.70 g/mol. Its IUPAC name is ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate
PubChem CID90103466
Molecular FormulaC13H10ClF3N4O2
Molecular Weight346.70 g/mol
Exact Mass346.04
IUPAC Nameethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(Cl)cc1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H10ClF3N4O2/c1-2-23-12(22)11-7(6-9(14)20-21-11)18-10-5-3-4-8(19-10)13(15,16)17/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyVCBOBBVRLRONKO-UHFFFAOYSA-N
XLogP3.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate (CID 90103466) is ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate is CCOC(=O)c1nnc(Cl)cc1Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate?
The InChIKey is VCBOBBVRLRONKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O2/c1-2-23-12(22)11-7(6-9(14)20-21-11)18-10-5-3-4-8(19-10)13(15,16)17/h3-6H,2H2,1H3,(H,18,19,20).
What are the key properties of ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate?
ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate has a molecular weight of 346.70 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 90103466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).