4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide

C12H8BrF2N3O — CID 81293284

IUPAC4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2cncc(Br)c2)c(F)c1
InChIInChI=1S/C12H8BrF2N3O/c13-7-3-8(5-18-4-7)19-11-9(14)1-6(12(16)17)2-10(11)15/h1-5H,(H3,16,17)
InChIKeyVDQGESJIAIUADG-UHFFFAOYSA-N
MW328.12 g/mol
LogP3.20
Rot. Bonds3

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

4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide (PubChem CID 81293284) has the molecular formula C12H8BrF2N3O and a molecular weight of 328.12 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
PubChem CID81293284
Molecular FormulaC12H8BrF2N3O
Molecular Weight328.12 g/mol
Exact Mass326.98
IUPAC Name4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2cncc(Br)c2)c(F)c1
InChIInChI=1S/C12H8BrF2N3O/c13-7-3-8(5-18-4-7)19-11-9(14)1-6(12(16)17)2-10(11)15/h1-5H,(H3,16,17)
InChIKeyVDQGESJIAIUADG-UHFFFAOYSA-N
XLogP3.20
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 53.20
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

3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
CID 107536790
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293478
3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide
CID 80514131
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002
3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 81342133
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide (CID 81293284) is 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2cncc(Br)c2)c(F)c1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide?
The InChIKey is VDQGESJIAIUADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3O/c13-7-3-8(5-18-4-7)19-11-9(14)1-6(12(16)17)2-10(11)15/h1-5H,(H3,16,17).
What are the key properties of 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide?
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide has a molecular weight of 328.12 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).