2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine

C8H8IN5O2 — CID 168592777

IUPAC2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(I)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H8IN5O2/c9-6-1-5(4-12-13-8(10)11)2-7(3-6)14(15)16/h1-4H,(H4,10,11,13)
InChIKeyZOOHEEZBBWNPMT-UHFFFAOYSA-N
MW333.09 g/mol
LogP0.81
Rot. Bonds3

About 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine

2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine (PubChem CID 168592777) has the molecular formula C8H8IN5O2 and a molecular weight of 333.09 g/mol. Its IUPAC name is 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine
PubChem CID168592777
Molecular FormulaC8H8IN5O2
Molecular Weight333.09 g/mol
Exact Mass332.97
IUPAC Name2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(I)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H8IN5O2/c9-6-1-5(4-12-13-8(10)11)2-7(3-6)14(15)16/h1-4H,(H4,10,11,13)
InChIKeyZOOHEEZBBWNPMT-UHFFFAOYSA-N
XLogP0.81
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.09
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

acetic acid;2-[(E)-(3,5-dinitrophenyl)methylideneamino]guanidine
CID 89145272
3-iodo-5-nitrobenzaldehyde
CID 71742603
1-ethenyl-3-iodo-5-nitrobenzene
CID 118269136
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
2-[(3-bromo-4-hydroxy-5-nitrophenyl)methylideneamino]guanidine
CID 168592594
2-[[3-(chloromethyl)-2-hydroxy-5-nitrophenyl]methylideneamino]guanidine
CID 168591168
1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768
2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 70180753
2-[(E)-[3-nitro-4-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880613
2-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]guanidine
CID 168592206
benzyl N'-[(3-hydroxy-5-nitrophenyl)methylideneamino]carbamimidothioate
CID 168612131
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine (CID 168592777) is 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cc(I)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine?
The InChIKey is ZOOHEEZBBWNPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN5O2/c9-6-1-5(4-12-13-8(10)11)2-7(3-6)14(15)16/h1-4H,(H4,10,11,13).
What are the key properties of 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine?
2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine has a molecular weight of 333.09 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).