2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine

C8H8Cl2N4O — CID 10060509

IUPAC2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N/N=C/c1c(Cl)cccc1Cl)NO
InChIInChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+
InChIKeyQKIQJNNDIWGVEH-UUILKARUSA-N
MW247.09 g/mol
LogP1.62
Rot. Bonds2

About 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 10060509) has the molecular formula C8H8Cl2N4O and a molecular weight of 247.09 g/mol. Its IUPAC name is 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID10060509
Molecular FormulaC8H8Cl2N4O
Molecular Weight247.09 g/mol
Exact Mass246.01
IUPAC Name2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N/N=C/c1c(Cl)cccc1Cl)NO
InChIInChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+
InChIKeyQKIQJNNDIWGVEH-UUILKARUSA-N
XLogP1.62
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine (CID 10060509) is 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine is N/C(=N/N=C/c1c(Cl)cccc1Cl)NO.
What is the InChIKey of 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is QKIQJNNDIWGVEH-UUILKARUSA-N. The full InChI is InChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+.
What are the key properties of 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 247.09 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 10060509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).