6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid

C12H8FN3O5 — CID 114416377

IUPAC6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(C(=O)O)nn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8FN3O5/c1-6-4-10(7(13)5-9(6)16(19)20)21-11-3-2-8(12(17)18)14-15-11/h2-5H,1H3,(H,17,18)
InChIKeyVGYWYYCRGLRQRI-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.32
Rot. Bonds4

About 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid

6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid (PubChem CID 114416377) has the molecular formula C12H8FN3O5 and a molecular weight of 293.21 g/mol. Its IUPAC name is 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
PubChem CID114416377
Molecular FormulaC12H8FN3O5
Molecular Weight293.21 g/mol
Exact Mass293.04
IUPAC Name6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(C(=O)O)nn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8FN3O5/c1-6-4-10(7(13)5-9(6)16(19)20)21-11-3-2-8(12(17)18)14-15-11/h2-5H,1H3,(H,17,18)
InChIKeyVGYWYYCRGLRQRI-UHFFFAOYSA-N
XLogP2.32
TPSA115.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
4-(2-fluoro-5-methyl-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 114417014
6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 114672035
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 114418608
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-4-carbonitrile
CID 114416620
2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 60726441
1-[2-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]ethanol
CID 114417033

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid (CID 114416377) is 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid is Cc1cc(Oc2ccc(C(=O)O)nn2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid?
The InChIKey is VGYWYYCRGLRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O5/c1-6-4-10(7(13)5-9(6)16(19)20)21-11-3-2-8(12(17)18)14-15-11/h2-5H,1H3,(H,17,18).
What are the key properties of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid?
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid has a molecular weight of 293.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 114416377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).