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

C8H9Cl3N4O — CID 172915821

IUPAC2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride
SMILESCl.NC(=N/N=C/c1c(Cl)cccc1Cl)NO
InChIInChI=1S/C8H8Cl2N4O.ClH/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15;/h1-4,15H,(H3,11,13,14);1H/b12-4+;
InChIKeyPQPZROSFRCBPIM-AQCBZIOHSA-N
MW283.55 g/mol
LogP2.04
Rot. Bonds2

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

2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride (PubChem CID 172915821) has the molecular formula C8H9Cl3N4O and a molecular weight of 283.55 g/mol. Its IUPAC name is 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride
PubChem CID172915821
Molecular FormulaC8H9Cl3N4O
Molecular Weight283.55 g/mol
Exact Mass281.98
IUPAC Name2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride
SMILESCl.NC(=N/N=C/c1c(Cl)cccc1Cl)NO
InChIInChI=1S/C8H8Cl2N4O.ClH/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15;/h1-4,15H,(H3,11,13,14);1H/b12-4+;
InChIKeyPQPZROSFRCBPIM-AQCBZIOHSA-N
XLogP2.04
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.55
LogP ≤ 52.04
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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Related Compounds

2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509
2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10277141
methyl N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidothioate
CID 172916516
1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine
CID 172918159
2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023950
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine
CID 91318169
2-nitrooxyethyl N-[(E)-N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]carbamate
CID 135900530
2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
CID 72952246
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 172962285
2-[(E)-[[amino-(hydroxyamino)methylidene]hydrazinylidene]methyl]benzenesulfonic acid
CID 173023985
1-hydroxy-2-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]guanidine
CID 135503417

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride?
The IUPAC name of 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride (CID 172915821) is 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride is Cl.NC(=N/N=C/c1c(Cl)cccc1Cl)NO.
What is the InChIKey of 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride?
The InChIKey is PQPZROSFRCBPIM-AQCBZIOHSA-N. The full InChI is InChI=1S/C8H8Cl2N4O.ClH/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15;/h1-4,15H,(H3,11,13,14);1H/b12-4+;.
What are the key properties of 2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride?
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride has a molecular weight of 283.55 g/mol, XLogP of 2.04, 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;hydrochloride is sourced from PubChem (CID 172915821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).