1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid

C16H15F2N3O5 — CID 58072528

IUPAC1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid
SMILESCOc1cn(-c2ccc(N3CCOCC3)c(F)c2F)nc(C(=O)O)c1=O
InChIInChI=1S/C16H15F2N3O5/c1-25-11-8-21(19-14(15(11)22)16(23)24)10-3-2-9(12(17)13(10)18)20-4-6-26-7-5-20/h2-3,8H,4-7H2,1H3,(H,23,24)
InChIKeyWJQFXFPEUQPFKF-UHFFFAOYSA-N
MW367.31 g/mol
LogP1.05
Rot. Bonds4

About 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid

1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid (PubChem CID 58072528) has the molecular formula C16H15F2N3O5 and a molecular weight of 367.31 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid
PubChem CID58072528
Molecular FormulaC16H15F2N3O5
Molecular Weight367.31 g/mol
Exact Mass367.10
IUPAC Name1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid
SMILESCOc1cn(-c2ccc(N3CCOCC3)c(F)c2F)nc(C(=O)O)c1=O
InChIInChI=1S/C16H15F2N3O5/c1-25-11-8-21(19-14(15(11)22)16(23)24)10-3-2-9(12(17)13(10)18)20-4-6-26-7-5-20/h2-3,8H,4-7H2,1H3,(H,23,24)
InChIKeyWJQFXFPEUQPFKF-UHFFFAOYSA-N
XLogP1.05
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid (CID 58072528) is 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid is COc1cn(-c2ccc(N3CCOCC3)c(F)c2F)nc(C(=O)O)c1=O.
What is the InChIKey of 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid?
The InChIKey is WJQFXFPEUQPFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O5/c1-25-11-8-21(19-14(15(11)22)16(23)24)10-3-2-9(12(17)13(10)18)20-4-6-26-7-5-20/h2-3,8H,4-7H2,1H3,(H,23,24).
What are the key properties of 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid?
1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid has a molecular weight of 367.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 58072528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).