3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide

C12H9Br2N3O — CID 82799770

IUPAC3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cncc(Br)c2)c(Br)c1
InChIInChI=1S/C12H9Br2N3O/c13-8-4-9(6-17-5-8)18-11-2-1-7(12(15)16)3-10(11)14/h1-6H,(H3,15,16)
InChIKeyKMFPBMXQJKEWNB-UHFFFAOYSA-N
MW371.03 g/mol
LogP3.68
Rot. Bonds3

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

3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide (PubChem CID 82799770) has the molecular formula C12H9Br2N3O and a molecular weight of 371.03 g/mol. Its IUPAC name is 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
PubChem CID82799770
Molecular FormulaC12H9Br2N3O
Molecular Weight371.03 g/mol
Exact Mass368.91
IUPAC Name3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cncc(Br)c2)c(Br)c1
InChIInChI=1S/C12H9Br2N3O/c13-8-4-9(6-17-5-8)18-11-2-1-7(12(15)16)3-10(11)14/h1-6H,(H3,15,16)
InChIKeyKMFPBMXQJKEWNB-UHFFFAOYSA-N
XLogP3.68
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide
CID 82804888
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
3-bromo-4-(4-methylphenoxy)benzenecarboximidamide
CID 82799325
2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
CID 107536790
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062
3-bromo-4-(4-nitrophenoxy)benzenecarboximidamide
CID 82799547
3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597271
3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide
CID 80514131

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide?
The IUPAC name of 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide (CID 82799770) is 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cncc(Br)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide?
The InChIKey is KMFPBMXQJKEWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O/c13-8-4-9(6-17-5-8)18-11-2-1-7(12(15)16)3-10(11)14/h1-6H,(H3,15,16).
What are the key properties of 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide?
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide has a molecular weight of 371.03 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide is sourced from PubChem (CID 82799770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).