3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid

C13H12N2O4 — CID 119053509

IUPAC3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnn(CCOc2ccccc2)c1=O
InChIInChI=1S/C13H12N2O4/c16-12-11(13(17)18)6-7-14-15(12)8-9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,18)
InChIKeySIEUHFRPBMLXKX-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.02
Rot. Bonds5

About 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid

3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid (PubChem CID 119053509) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid
PubChem CID119053509
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnn(CCOc2ccccc2)c1=O
InChIInChI=1S/C13H12N2O4/c16-12-11(13(17)18)6-7-14-15(12)8-9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,18)
InChIKeySIEUHFRPBMLXKX-UHFFFAOYSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-3-oxopyridazine-4-carboxylic acid
CID 97181365
2-(2-phenoxyethyl)pyridazin-3-one
CID 176899084
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-methyl-2-(2-phenoxyethyl)pyridazin-3-one
CID 129259620
4-oxo-3-(2-phenoxyethyl)phthalazine-1-carboxylate
CID 7870157
2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 47069511
2-(2-phenoxyethylsulfanyl)pyridine-3-carboxylic acid
CID 43238191
3-[4-[2-(6-oxopyridazin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 76950781
6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 33466549
2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one
CID 2299361
(2,4,6-trichlorophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615981
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid (CID 119053509) is 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid is O=C(O)c1ccnn(CCOc2ccccc2)c1=O.
What is the InChIKey of 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid?
The InChIKey is SIEUHFRPBMLXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12-11(13(17)18)6-7-14-15(12)8-9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,18).
What are the key properties of 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid?
3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(2-phenoxyethyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 119053509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).