2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine

C8H8Cl2N4O2 — CID 136756159

IUPAC2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=N/N=C\c1cc(Cl)cc(Cl)c1O)NO
InChIInChI=1S/C8H8Cl2N4O2/c9-5-1-4(7(15)6(10)2-5)3-12-13-8(11)14-16/h1-3,15-16H,(H3,11,13,14)/b12-3-
InChIKeyOKBDYMDEHJJFAB-BASWHVEKSA-N
MW263.08 g/mol
LogP1.33
Rot. Bonds2

About 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine

2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 136756159) has the molecular formula C8H8Cl2N4O2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID136756159
Molecular FormulaC8H8Cl2N4O2
Molecular Weight263.08 g/mol
Exact Mass262.00
IUPAC Name2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=N/N=C\c1cc(Cl)cc(Cl)c1O)NO
InChIInChI=1S/C8H8Cl2N4O2/c9-5-1-4(7(15)6(10)2-5)3-12-13-8(11)14-16/h1-3,15-16H,(H3,11,13,14)/b12-3-
InChIKeyOKBDYMDEHJJFAB-BASWHVEKSA-N
XLogP1.33
TPSA103.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 136756159) is 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine is NC(=N/N=C\c1cc(Cl)cc(Cl)c1O)NO.
What is the InChIKey of 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is OKBDYMDEHJJFAB-BASWHVEKSA-N. The full InChI is InChI=1S/C8H8Cl2N4O2/c9-5-1-4(7(15)6(10)2-5)3-12-13-8(11)14-16/h1-3,15-16H,(H3,11,13,14)/b12-3-.
What are the key properties of 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 263.08 g/mol, XLogP of 1.33, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 136756159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).