6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid

C11H6BrFN2O3 — CID 114672035

IUPAC6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cc(Br)ccc2F)nn1
InChIInChI=1S/C11H6BrFN2O3/c12-6-1-2-7(13)9(5-6)18-10-4-3-8(11(16)17)14-15-10/h1-5H,(H,16,17)
InChIKeyHYAQFCVPCFPNFH-UHFFFAOYSA-N
MW313.08 g/mol
LogP2.87
Rot. Bonds3

About 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid

6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid (PubChem CID 114672035) has the molecular formula C11H6BrFN2O3 and a molecular weight of 313.08 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid
PubChem CID114672035
Molecular FormulaC11H6BrFN2O3
Molecular Weight313.08 g/mol
Exact Mass311.95
IUPAC Name6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cc(Br)ccc2F)nn1
InChIInChI=1S/C11H6BrFN2O3/c12-6-1-2-7(13)9(5-6)18-10-4-3-8(11(16)17)14-15-10/h1-5H,(H,16,17)
InChIKeyHYAQFCVPCFPNFH-UHFFFAOYSA-N
XLogP2.87
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-fluorophenoxy)pyridazine-3-carboxylic acid
CID 54919489
6-(3-bromophenoxy)pyridazine-3-carboxylic acid
CID 60790683
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
CID 114416377
6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
CID 60791476
6-(3-chloro-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 116688881
3-(5-bromo-2-fluorophenoxy)pyridine-2-carboxylic acid
CID 114677043
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
CID 114673917
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
CID 114677416
4-bromo-2-pyridazin-3-yloxybenzoic acid
CID 62482256
2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
CID 114671712

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid (CID 114672035) is 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid is O=C(O)c1ccc(Oc2cc(Br)ccc2F)nn1.
What is the InChIKey of 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid?
The InChIKey is HYAQFCVPCFPNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O3/c12-6-1-2-7(13)9(5-6)18-10-4-3-8(11(16)17)14-15-10/h1-5H,(H,16,17).
What are the key properties of 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid?
6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid has a molecular weight of 313.08 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 114672035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).