4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide

C14H14BrN3O3 — CID 136869301

IUPAC4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCOc1ccc(OCc2ccnc(/C(N)=N/O)c2)c(Br)c1
InChIInChI=1S/C14H14BrN3O3/c1-20-10-2-3-13(11(15)7-10)21-8-9-4-5-17-12(6-9)14(16)18-19/h2-7,19H,8H2,1H3,(H2,16,18)
InChIKeyPYSGWOHOOJYHPK-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.53
Rot. Bonds5

About 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide

4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136869301) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136869301
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCOc1ccc(OCc2ccnc(/C(N)=N/O)c2)c(Br)c1
InChIInChI=1S/C14H14BrN3O3/c1-20-10-2-3-13(11(15)7-10)21-8-9-4-5-17-12(6-9)14(16)18-19/h2-7,19H,8H2,1H3,(H2,16,18)
InChIKeyPYSGWOHOOJYHPK-UHFFFAOYSA-N
XLogP2.53
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136987900
4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136952615
4-[(2-bromo-4-fluorophenoxy)methyl]pyridine-2-carbothioamide
CID 63881141
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
4-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbothioamide
CID 63880550
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
4-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136687951
5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
CID 104707269
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136869301) is 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide is COc1ccc(OCc2ccnc(/C(N)=N/O)c2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is PYSGWOHOOJYHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-20-10-2-3-13(11(15)7-10)21-8-9-4-5-17-12(6-9)14(16)18-19/h2-7,19H,8H2,1H3,(H2,16,18).
What are the key properties of 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 352.19 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136869301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).