2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide

C15H16BrN3O — CID 82824229

IUPAC2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCc1ccccc1Br
InChIInChI=1S/C15H16BrN3O/c1-9-7-10(2)19-15(13(9)14(17)18)20-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H3,17,18)
InChIKeySDNFQVCQKGFUTB-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.32
Rot. Bonds4

About 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide

2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 82824229) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID82824229
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCc1ccccc1Br
InChIInChI=1S/C15H16BrN3O/c1-9-7-10(2)19-15(13(9)14(17)18)20-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H3,17,18)
InChIKeySDNFQVCQKGFUTB-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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

4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
5-[(2-bromophenyl)methoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 82824514
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 61175190
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 106202063
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide (CID 82824229) is 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is SDNFQVCQKGFUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-9-7-10(2)19-15(13(9)14(17)18)20-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H3,17,18).
What are the key properties of 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide?
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 334.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 82824229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).