2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide

C12H8Br2FN3O — CID 107536790

IUPAC2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cncc(Br)c2)c(F)c1Br
InChIInChI=1S/C12H8Br2FN3O/c13-6-3-7(5-18-4-6)19-9-2-1-8(12(16)17)10(14)11(9)15/h1-5H,(H3,16,17)
InChIKeyUTUCMUHGELXVOG-UHFFFAOYSA-N
MW389.02 g/mol
LogP3.82
Rot. Bonds3

About 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide

2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide (PubChem CID 107536790) has the molecular formula C12H8Br2FN3O and a molecular weight of 389.02 g/mol. Its IUPAC name is 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
PubChem CID107536790
Molecular FormulaC12H8Br2FN3O
Molecular Weight389.02 g/mol
Exact Mass386.90
IUPAC Name2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cncc(Br)c2)c(F)c1Br
InChIInChI=1S/C12H8Br2FN3O/c13-6-3-7(5-18-4-6)19-9-2-1-8(12(16)17)10(14)11(9)15/h1-5H,(H3,16,17)
InChIKeyUTUCMUHGELXVOG-UHFFFAOYSA-N
XLogP3.82
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.02
LogP ≤ 53.82
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

2-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide
CID 80514131
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107536715

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide?
The IUPAC name of 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide (CID 107536790) is 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cncc(Br)c2)c(F)c1Br.
What is the InChIKey of 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide?
The InChIKey is UTUCMUHGELXVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FN3O/c13-6-3-7(5-18-4-6)19-9-2-1-8(12(16)17)10(14)11(9)15/h1-5H,(H3,16,17).
What are the key properties of 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide?
2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide has a molecular weight of 389.02 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107536790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).