ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate

C18H13F2N3O2 — CID 67484483

IUPACethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1
InChIInChI=1S/C18H13F2N3O2/c1-2-25-18(24)16-9-12(10-22-23-16)11-5-6-14(19)13(8-11)17-15(20)4-3-7-21-17/h3-10H,2H2,1H3
InChIKeyCQLXCXJUCLOOFI-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.66
Rot. Bonds4

About ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate

ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate (PubChem CID 67484483) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate
PubChem CID67484483
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Nameethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1
InChIInChI=1S/C18H13F2N3O2/c1-2-25-18(24)16-9-12(10-22-23-16)11-5-6-14(19)13(8-11)17-15(20)4-3-7-21-17/h3-10H,2H2,1H3
InChIKeyCQLXCXJUCLOOFI-UHFFFAOYSA-N
XLogP3.66
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate?
The IUPAC name of ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate (CID 67484483) is ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate is CCOC(=O)c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1.
What is the InChIKey of ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate?
The InChIKey is CQLXCXJUCLOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-2-25-18(24)16-9-12(10-22-23-16)11-5-6-14(19)13(8-11)17-15(20)4-3-7-21-17/h3-10H,2H2,1H3.
What are the key properties of ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate?
ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate has a molecular weight of 341.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate is sourced from PubChem (CID 67484483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).