5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide

C15H16BrN3O — CID 103174838

IUPAC5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(C)nc1CC
InChIInChI=1S/C15H16BrN3O/c1-3-12-14(6-4-9(2)19-12)20-13-7-5-10(16)8-11(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18)
InChIKeyHFIGPJNXVITKPZ-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.79
Rot. Bonds4

About 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide

5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide (PubChem CID 103174838) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
PubChem CID103174838
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(C)nc1CC
InChIInChI=1S/C15H16BrN3O/c1-3-12-14(6-4-9(2)19-12)20-13-7-5-10(16)8-11(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18)
InChIKeyHFIGPJNXVITKPZ-UHFFFAOYSA-N
XLogP3.79
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.79
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-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174828
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 103174853
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289
5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 114893362
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114893307
2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide
CID 107278448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The IUPAC name of 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide (CID 103174838) is 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Oc1ccc(C)nc1CC.
What is the InChIKey of 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The InChIKey is HFIGPJNXVITKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-12-14(6-4-9(2)19-12)20-13-7-5-10(16)8-11(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18).
What are the key properties of 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide has a molecular weight of 334.22 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide is sourced from PubChem (CID 103174838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).