2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine

C8H7ClN6O5 — CID 10277141

IUPAC2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N/N=C/c1c(Cl)ccc([N+](=O)[O-])c1[N+](=O)[O-])NO
InChIInChI=1S/C8H7ClN6O5/c9-5-1-2-6(14(17)18)7(15(19)20)4(5)3-11-12-8(10)13-16/h1-3,16H,(H3,10,12,13)/b11-3+
InChIKeyXMQLXSZNJHKWLS-QDEBKDIKSA-N
MW302.63 g/mol
LogP0.78
Rot. Bonds4

About 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 10277141) has the molecular formula C8H7ClN6O5 and a molecular weight of 302.63 g/mol. Its IUPAC name is 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID10277141
Molecular FormulaC8H7ClN6O5
Molecular Weight302.63 g/mol
Exact Mass302.02
IUPAC Name2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine
SMILESN/C(=N/N=C/c1c(Cl)ccc([N+](=O)[O-])c1[N+](=O)[O-])NO
InChIInChI=1S/C8H7ClN6O5/c9-5-1-2-6(14(17)18)7(15(19)20)4(5)3-11-12-8(10)13-16/h1-3,16H,(H3,10,12,13)/b11-3+
InChIKeyXMQLXSZNJHKWLS-QDEBKDIKSA-N
XLogP0.78
TPSA169.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.63
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(3-chloro-2,6-dinitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 139982908
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509
2-[(E)-(3-bromo-2,6-dinitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 142114048
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride
CID 172915821
2-[(E)-(2-bromo-5-chloro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024061
2-[(E)-(2-chloro-3,4-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10300026
2-[(5-chloro-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 85326105
2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10158636
2-[(E)-(2,3-dimethoxy-5,6-dinitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 10300601
2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine
CID 85064349
1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768
[[N'-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]carbamimidoyl]amino] 4-methylbenzenesulfonate
CID 173023905

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine (CID 10277141) is 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine is N/C(=N/N=C/c1c(Cl)ccc([N+](=O)[O-])c1[N+](=O)[O-])NO.
What is the InChIKey of 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is XMQLXSZNJHKWLS-QDEBKDIKSA-N. The full InChI is InChI=1S/C8H7ClN6O5/c9-5-1-2-6(14(17)18)7(15(19)20)4(5)3-11-12-8(10)13-16/h1-3,16H,(H3,10,12,13)/b11-3+.
What are the key properties of 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 302.63 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-chloro-2,3-dinitrophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 10277141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).