2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine

C8H8ClN5O2 — CID 66841899

IUPAC2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H8ClN5O2/c9-7-2-1-6(14(15)16)3-5(7)4-12-13-8(10)11/h1-4H,(H4,10,11,13)
InChIKeyTUIBEPORCAWZFB-UHFFFAOYSA-N
MW241.64 g/mol
LogP0.86
Rot. Bonds3

About 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine

2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine (PubChem CID 66841899) has the molecular formula C8H8ClN5O2 and a molecular weight of 241.64 g/mol. Its IUPAC name is 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
PubChem CID66841899
Molecular FormulaC8H8ClN5O2
Molecular Weight241.64 g/mol
Exact Mass241.04
IUPAC Name2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H8ClN5O2/c9-7-2-1-6(14(15)16)3-5(7)4-12-13-8(10)11/h1-4H,(H4,10,11,13)
InChIKeyTUIBEPORCAWZFB-UHFFFAOYSA-N
XLogP0.86
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 50.86
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 70180753
2-[[3-(chloromethyl)-2-hydroxy-5-nitrophenyl]methylideneamino]guanidine
CID 168591168
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
CID 3760612
2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine
CID 168591416
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
CID 94841683
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
2-[(2-fluoro-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 90876369
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
2-[(3-iodo-5-nitrophenyl)methylideneamino]guanidine
CID 168592777
2-[(E)-[2-(2,5-dimethoxyphenyl)sulfanyl-5-nitrophenyl]methylideneamino]guanidine
CID 44572794

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine (CID 66841899) is 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine?
The InChIKey is TUIBEPORCAWZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2/c9-7-2-1-6(14(15)16)3-5(7)4-12-13-8(10)11/h1-4H,(H4,10,11,13).
What are the key properties of 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine?
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine has a molecular weight of 241.64 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 66841899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).