4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide

C13H11BrFN3O2 — CID 136987900

IUPAC4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(COc2cc(Br)ccc2F)ccn1
InChIInChI=1S/C13H11BrFN3O2/c14-9-1-2-10(15)12(6-9)20-7-8-3-4-17-11(5-8)13(16)18-19/h1-6,19H,7H2,(H2,16,18)
InChIKeySEWGCCGIMSUVES-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.66
Rot. Bonds4

About 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide

4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136987900) has the molecular formula C13H11BrFN3O2 and a molecular weight of 340.15 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136987900
Molecular FormulaC13H11BrFN3O2
Molecular Weight340.15 g/mol
Exact Mass339.00
IUPAC Name4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cc(COc2cc(Br)ccc2F)ccn1
InChIInChI=1S/C13H11BrFN3O2/c14-9-1-2-10(15)12(6-9)20-7-8-3-4-17-11(5-8)13(16)18-19/h1-6,19H,7H2,(H2,16,18)
InChIKeySEWGCCGIMSUVES-UHFFFAOYSA-N
XLogP2.66
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.66
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

4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136952615
4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136869301
5-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879958
3-[(5-bromo-2-fluorophenoxy)methyl]benzamide
CID 115918400
4-[(2-bromo-4-fluorophenoxy)methyl]pyridine-2-carbothioamide
CID 63881141
5-[(5-bromo-2-fluorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 114672512
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698528
4-(2-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 135965068
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 74312754
4-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbothioamide
CID 63880550

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136987900) is 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cc(COc2cc(Br)ccc2F)ccn1.
What is the InChIKey of 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is SEWGCCGIMSUVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O2/c14-9-1-2-10(15)12(6-9)20-7-8-3-4-17-11(5-8)13(16)18-19/h1-6,19H,7H2,(H2,16,18).
What are the key properties of 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 340.15 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136987900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).