2-[(4-bromophenyl)methyl]-1-hydroxyguanidine

C8H10BrN3O — CID 62481269

IUPAC2-[(4-bromophenyl)methyl]-1-hydroxyguanidine
SMILESN/C(=N\Cc1ccc(Br)cc1)NO
InChIInChI=1S/C8H10BrN3O/c9-7-3-1-6(2-4-7)5-11-8(10)12-13/h1-4,13H,5H2,(H3,10,11,12)
InChIKeyMFKKNHGAGNTYND-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.24
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine

2-[(4-bromophenyl)methyl]-1-hydroxyguanidine (PubChem CID 62481269) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1-hydroxyguanidine
PubChem CID62481269
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-[(4-bromophenyl)methyl]-1-hydroxyguanidine
SMILESN/C(=N\Cc1ccc(Br)cc1)NO
InChIInChI=1S/C8H10BrN3O/c9-7-3-1-6(2-4-7)5-11-8(10)12-13/h1-4,13H,5H2,(H3,10,11,12)
InChIKeyMFKKNHGAGNTYND-UHFFFAOYSA-N
XLogP1.24
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 11971697
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-[(4-bromophenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111800437
2-[(4-bromophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 86777408
N'-[(4-bromophenyl)methyl]-N-cyanoethanimidamide
CID 119088896
1-(N'-methylcarbamimidoyl)-2-[(4-methylphenyl)methyl]guanidine;hydrochloride
CID 162304757
N'-[N'-[(4-bromophenyl)methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513636
2-benzyl-1-(4-bromo-2,6-dichlorophenyl)guanidine
CID 130567686
1-amino-2-(pyridin-4-ylmethyl)guanidine
CID 23471425
2-[(4-bromophenyl)methyl]-1-carbamimidoyl-1-propan-2-ylguanidine
CID 24839256
(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine
CID 15233170
2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
CID 106015829

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine (CID 62481269) is 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine is N/C(=N\Cc1ccc(Br)cc1)NO.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine?
The InChIKey is MFKKNHGAGNTYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-7-3-1-6(2-4-7)5-11-8(10)12-13/h1-4,13H,5H2,(H3,10,11,12).
What are the key properties of 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine?
2-[(4-bromophenyl)methyl]-1-hydroxyguanidine has a molecular weight of 244.09 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-1-hydroxyguanidine is sourced from PubChem (CID 62481269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).