3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide

C15H16BrN3O — CID 115402309

IUPAC3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C15H16BrN3O/c1-9(2)11-8-10(16)5-6-12(11)20-13-4-3-7-19-14(13)15(17)18/h3-9H,1-2H3,(H3,17,18)
InChIKeyGATICQFUTGUJBH-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.04
Rot. Bonds4

About 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide

3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide (PubChem CID 115402309) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide
PubChem CID115402309
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C15H16BrN3O/c1-9(2)11-8-10(16)5-6-12(11)20-13-4-3-7-19-14(13)15(17)18/h3-9H,1-2H3,(H3,17,18)
InChIKeyGATICQFUTGUJBH-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
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-propan-2-ylpyridine-2-carboximidamide
CID 131699759
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
2-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769377
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 115402332
3-[(4-bromo-2-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 55161907
3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
CID 83234285
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
CID 115928526
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
4-(4-bromo-2-propan-2-ylphenoxy)cinnoline
CID 115402133
2-(4-bromo-2-propan-2-ylphenoxy)butanimidamide
CID 115402335
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62684568

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide?
The IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide (CID 115402309) is 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1Oc1ccc(Br)cc1C(C)C.
What is the InChIKey of 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide?
The InChIKey is GATICQFUTGUJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-9(2)11-8-10(16)5-6-12(11)20-13-4-3-7-19-14(13)15(17)18/h3-9H,1-2H3,(H3,17,18).
What are the key properties of 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide?
3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide has a molecular weight of 334.22 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-propan-2-ylphenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 115402309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).