4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide

C14H14BrN3O2 — CID 114904269

IUPAC4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1OCCc1ccccn1
InChIInChI=1S/C14H14BrN3O2/c15-10-4-5-12(14(16)18-19)13(9-10)20-8-6-11-3-1-2-7-17-11/h1-5,7,9,19H,6,8H2,(H2,16,18)
InChIKeyWDRHPVWZAYFRDY-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.56
Rot. Bonds5

About 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide

4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide (PubChem CID 114904269) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide
PubChem CID114904269
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Br)cc1OCCc1ccccn1
InChIInChI=1S/C14H14BrN3O2/c15-10-4-5-12(14(16)18-19)13(9-10)20-8-6-11-3-1-2-7-17-11/h1-5,7,9,19H,6,8H2,(H2,16,18)
InChIKeyWDRHPVWZAYFRDY-UHFFFAOYSA-N
XLogP2.56
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.56
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-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 114904301
4-bromo-N'-hydroxy-2-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 114904356
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 62378651
N'-hydroxy-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboximidamide
CID 136907230
2-amino-5-bromo-3-(2-pyridin-2-ylethoxy)benzonitrile
CID 58540785
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000
5-bromo-N'-hydroxy-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 114892744
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
CID 54970606
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine
CID 168602724

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide (CID 114904269) is 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide is N/C(=N/O)c1ccc(Br)cc1OCCc1ccccn1.
What is the InChIKey of 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide?
The InChIKey is WDRHPVWZAYFRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-10-4-5-12(14(16)18-19)13(9-10)20-8-6-11-3-1-2-7-17-11/h1-5,7,9,19H,6,8H2,(H2,16,18).
What are the key properties of 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide?
4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide has a molecular weight of 336.19 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 114904269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).