2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine

C8H8Cl2N4O — CID 135545702

IUPAC2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H8Cl2N4O/c9-5-1-4(3-13-14-8(11)12)7(15)6(10)2-5/h1-3,15H,(H4,11,12,14)/b13-3+
InChIKeyUKJCBMNZFDBNOW-QLKAYGNNSA-N
MW247.08 g/mol
LogP1.31
Rot. Bonds2

About 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine

2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 135545702) has the molecular formula C8H8Cl2N4O and a molecular weight of 247.08 g/mol. Its IUPAC name is 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
PubChem CID135545702
Molecular FormulaC8H8Cl2N4O
Molecular Weight247.08 g/mol
Exact Mass246.01
IUPAC Name2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H8Cl2N4O/c9-5-1-4(3-13-14-8(11)12)7(15)6(10)2-5/h1-3,15H,(H4,11,12,14)/b13-3+
InChIKeyUKJCBMNZFDBNOW-QLKAYGNNSA-N
XLogP1.31
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

5-Chloro-salicylaldehyde-guanylhydrazone
CID 248399
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
(Z)-2,3-bis[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]but-2-enedinitrile
CID 2803625
2-[(5-Amino-tetrazol-1-ylimino)-methyl]-4,6-dichloro-phenol
CID 135537508
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
N'',N'''-Bis[(3,5-dichloro-2-hydroxyphenyl)methylene]carbonic dihydrazide
CID 135533439
(1E)-5-chloro-2-hydroxy-benzaldehyde hydrazone
CID 135715621
3,5-Dichloro-2-hydroxybenzaldehyde oxime
CID 135408734
2,4-Dichloro-6-((2-hydroxy-ethylimino)-methyl)-phenol
CID 2731517
2-[(E)-(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 136055871
(E)-2-((3,5-dichloro-2-hydroxybenzylidene)amino)cyclopent-1-enecarbonitrile
CID 5185045
(6E)-2,4-dichloro-6-[[2-[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135418722

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine (CID 135545702) is 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine is NC(N)=N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is UKJCBMNZFDBNOW-QLKAYGNNSA-N. The full InChI is InChI=1S/C8H8Cl2N4O/c9-5-1-4(3-13-14-8(11)12)7(15)6(10)2-5/h1-3,15H,(H4,11,12,14)/b13-3+.
What are the key properties of 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine?
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 247.08 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 135545702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).