2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine

C8H10BrN3O — CID 62482082

IUPAC2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine
SMILESCc1ccc(Br)cc1/N=C(\N)NO
InChIInChI=1S/C8H10BrN3O/c1-5-2-3-6(9)4-7(5)11-8(10)12-13/h2-4,13H,1H3,(H3,10,11,12)
InChIKeyGKTQYEPKCRXGCD-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.68
Rot. Bonds1

About 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine

2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine (PubChem CID 62482082) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine
PubChem CID62482082
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine
SMILESCc1ccc(Br)cc1/N=C(\N)NO
InChIInChI=1S/C8H10BrN3O/c1-5-2-3-6(9)4-7(5)11-8(10)12-13/h2-4,13H,1H3,(H3,10,11,12)
InChIKeyGKTQYEPKCRXGCD-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.68
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-(5-bromo-2-iodophenyl)-1-hydroxyguanidine
CID 130499737
2-(2,4-dibromophenyl)-1-hydroxyguanidine
CID 62481697
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
1-hydroxy-2-[2-methyl-5-(trifluoromethyl)phenyl]guanidine
CID 66477962
2-(4-bromo-2-ethylphenyl)-1-hydroxyguanidine
CID 81286979
N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide
CID 63175617
N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide
CID 63175680
1,2-bis(4-bromo-2-methylphenyl)guanidine
CID 14125583
2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine
CID 104725233
4-bromo-2-isothiocyanato-1-methylbenzene
CID 4565392
N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide
CID 63174422
2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine
CID 102855074

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine (CID 62482082) is 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine is Cc1ccc(Br)cc1/N=C(\N)NO.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine?
The InChIKey is GKTQYEPKCRXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-5-2-3-6(9)4-7(5)11-8(10)12-13/h2-4,13H,1H3,(H3,10,11,12).
What are the key properties of 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine?
2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine has a molecular weight of 244.09 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine is sourced from PubChem (CID 62482082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).