6-(3-bromophenoxy)pyridazine-3-carboxylic acid

C11H7BrN2O3 — CID 60790683

IUPAC6-(3-bromophenoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cccc(Br)c2)nn1
InChIInChI=1S/C11H7BrN2O3/c12-7-2-1-3-8(6-7)17-10-5-4-9(11(15)16)13-14-10/h1-6H,(H,15,16)
InChIKeyPBJKKPRVXVWPHF-UHFFFAOYSA-N
MW295.09 g/mol
LogP2.73
Rot. Bonds3

About 6-(3-bromophenoxy)pyridazine-3-carboxylic acid

6-(3-bromophenoxy)pyridazine-3-carboxylic acid (PubChem CID 60790683) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 6-(3-bromophenoxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-bromophenoxy)pyridazine-3-carboxylic acid
PubChem CID60790683
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name6-(3-bromophenoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cccc(Br)c2)nn1
InChIInChI=1S/C11H7BrN2O3/c12-7-2-1-3-8(6-7)17-10-5-4-9(11(15)16)13-14-10/h1-6H,(H,15,16)
InChIKeyPBJKKPRVXVWPHF-UHFFFAOYSA-N
XLogP2.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid
CID 117189235
6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 114672035
6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
CID 60791476
N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71879575
2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid
CID 117189489
6-(2-bromo-4-fluorophenoxy)pyridazine-3-carboxylic acid
CID 54919489
3-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 61395653
1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
CID 112583808
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
6-(3-chloro-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 116688881
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-bromophenoxy)pyridazine-3-carboxylic acid (CID 60790683) is 6-(3-bromophenoxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-bromophenoxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-bromophenoxy)pyridazine-3-carboxylic acid is O=C(O)c1ccc(Oc2cccc(Br)c2)nn1.
What is the InChIKey of 6-(3-bromophenoxy)pyridazine-3-carboxylic acid?
The InChIKey is PBJKKPRVXVWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-7-2-1-3-8(6-7)17-10-5-4-9(11(15)16)13-14-10/h1-6H,(H,15,16).
What are the key properties of 6-(3-bromophenoxy)pyridazine-3-carboxylic acid?
6-(3-bromophenoxy)pyridazine-3-carboxylic acid has a molecular weight of 295.09 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60790683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).