4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C14H14BrN3O2 — CID 81054592

IUPAC4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(Oc2cccc(Br)c2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H14BrN3O2/c1-8-6-12(13(9(2)17-8)14(16)18-19)20-11-5-3-4-10(15)7-11/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyFRYTXOXBTJWYAG-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.35
Rot. Bonds3

About 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81054592) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81054592
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(Oc2cccc(Br)c2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H14BrN3O2/c1-8-6-12(13(9(2)17-8)14(16)18-19)20-11-5-3-4-10(15)7-11/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyFRYTXOXBTJWYAG-UHFFFAOYSA-N
XLogP3.35
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370
N'-hydroxy-4-(2-methoxyphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81035865
4-(4-chloro-3-fluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 82718060
N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036684
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81054224
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
N'-hydroxy-4-(2-hydroxyethoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054803
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054457

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 81054592) is 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(Oc2cccc(Br)c2)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is FRYTXOXBTJWYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-6-12(13(9(2)17-8)14(16)18-19)20-11-5-3-4-10(15)7-11/h3-7,19H,1-2H3,(H2,16,18).
What are the key properties of 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 336.19 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81054592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).