6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid

C14H14N2O4 — CID 60790691

IUPAC6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid
SMILESCCCOc1ccc(Oc2ccc(C(=O)O)nn2)cc1
InChIInChI=1S/C14H14N2O4/c1-2-9-19-10-3-5-11(6-4-10)20-13-8-7-12(14(17)18)15-16-13/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeySEHMRTJIZIVWIO-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.76
Rot. Bonds6

About 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid

6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid (PubChem CID 60790691) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid
PubChem CID60790691
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid
SMILESCCCOc1ccc(Oc2ccc(C(=O)O)nn2)cc1
InChIInChI=1S/C14H14N2O4/c1-2-9-19-10-3-5-11(6-4-10)20-13-8-7-12(14(17)18)15-16-13/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeySEHMRTJIZIVWIO-UHFFFAOYSA-N
XLogP2.76
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
CID 60791476
3-chloro-6-(4-propoxyphenoxy)pyridazine
CID 60674904
6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid
CID 114469998
1-[(4-propoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618654
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
5-(4-propoxyphenoxy)pyridine-2-carbothioamide
CID 115488868
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid
CID 115505429
(6-methoxypyridazin-3-yl)-(2-propoxyphenyl)methanone
CID 103373209
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
2-(4-butoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 82030619
4-(6-carbamoylpyridazin-3-yl)oxy-2-methylbenzoic acid
CID 107672579

Frequently Asked Questions

What is the IUPAC name of 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid (CID 60790691) is 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid is CCCOc1ccc(Oc2ccc(C(=O)O)nn2)cc1.
What is the InChIKey of 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid?
The InChIKey is SEHMRTJIZIVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-9-19-10-3-5-11(6-4-10)20-13-8-7-12(14(17)18)15-16-13/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid?
6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60790691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).