1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine

C8H10ClN3O — CID 88840581

IUPAC1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine
SMILESCN(/C(N)=N/O)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN3O/c1-12(8(10)11-13)7-4-2-3-6(9)5-7/h2-5,13H,1H3,(H2,10,11)
InChIKeyCSUBBJCZNLJTNP-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.48
Rot. Bonds1

About 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine

1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine (PubChem CID 88840581) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine
PubChem CID88840581
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine
SMILESCN(/C(N)=N/O)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN3O/c1-12(8(10)11-13)7-4-2-3-6(9)5-7/h2-5,13H,1H3,(H2,10,11)
InChIKeyCSUBBJCZNLJTNP-UHFFFAOYSA-N
XLogP1.48
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.48
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine?
The IUPAC name of 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine (CID 88840581) is 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine?
The canonical SMILES for 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine is CN(/C(N)=N/O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine?
The InChIKey is CSUBBJCZNLJTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-12(8(10)11-13)7-4-2-3-6(9)5-7/h2-5,13H,1H3,(H2,10,11).
What are the key properties of 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine?
1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine has a molecular weight of 199.64 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine is sourced from PubChem (CID 88840581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).