3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide

C10H8BrN5O — CID 80514131

IUPAC3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Oc1cncc(Br)c1
InChIInChI=1S/C10H8BrN5O/c11-6-3-7(5-14-4-6)17-10-8(9(12)13)1-2-15-16-10/h1-5H,(H3,12,13)
InChIKeyUVBQFBIISNHLKN-UHFFFAOYSA-N
MW294.11 g/mol
LogP1.71
Rot. Bonds3

About 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide

3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide (PubChem CID 80514131) has the molecular formula C10H8BrN5O and a molecular weight of 294.11 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide
PubChem CID80514131
Molecular FormulaC10H8BrN5O
Molecular Weight294.11 g/mol
Exact Mass292.99
IUPAC Name3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Oc1cncc(Br)c1
InChIInChI=1S/C10H8BrN5O/c11-6-3-7(5-14-4-6)17-10-8(9(12)13)1-2-15-16-10/h1-5H,(H3,12,13)
InChIKeyUVBQFBIISNHLKN-UHFFFAOYSA-N
XLogP1.71
TPSA97.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carbothioamide
CID 80512745
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
CID 107724658
3-(3,5-dimethoxyphenoxy)pyridazine-4-carboximidamide
CID 80514150
3-(4-bromo-2-chlorophenoxy)pyridazine-4-carboximidamide
CID 80514235
2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
CID 107536790
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
3-(3-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514169
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-(3-methyl-4-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514301
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
CID 80514283

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide (CID 80514131) is 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1Oc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide?
The InChIKey is UVBQFBIISNHLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O/c11-6-3-7(5-14-4-6)17-10-8(9(12)13)1-2-15-16-10/h1-5H,(H3,12,13).
What are the key properties of 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide?
3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide has a molecular weight of 294.11 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide is sourced from PubChem (CID 80514131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).