2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine

C9H10FIN4O — CID 168591270

IUPAC2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1c(C=NN=C(N)N)ccc(I)c1F
InChIInChI=1S/C9H10FIN4O/c1-16-8-5(4-14-15-9(12)13)2-3-6(11)7(8)10/h2-4H,1H3,(H4,12,13,15)
InChIKeySVFKEJZLZAXLMN-UHFFFAOYSA-N
MW336.11 g/mol
LogP1.05
Rot. Bonds3

About 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine

2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine (PubChem CID 168591270) has the molecular formula C9H10FIN4O and a molecular weight of 336.11 g/mol. Its IUPAC name is 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine
PubChem CID168591270
Molecular FormulaC9H10FIN4O
Molecular Weight336.11 g/mol
Exact Mass335.99
IUPAC Name2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1c(C=NN=C(N)N)ccc(I)c1F
InChIInChI=1S/C9H10FIN4O/c1-16-8-5(4-14-15-9(12)13)2-3-6(11)7(8)10/h2-4H,1H3,(H4,12,13,15)
InChIKeySVFKEJZLZAXLMN-UHFFFAOYSA-N
XLogP1.05
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.11
LogP ≤ 51.05
H-Bond Donors ≤ 52
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine
CID 168591000
2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
CID 168591738
2-[(E)-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2,3-dipropoxyphenyl]methylideneamino]guanidine;dihydrochloride
CID 45263357
2-[[2,4-difluoro-3-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 168591694
2-[2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168622439
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine
CID 168590500
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850
2-[(2,3,4-trifluoro-6-methoxyphenyl)methylideneamino]guanidine
CID 168591151
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
CID 168591904

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine (CID 168591270) is 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine is COc1c(C=NN=C(N)N)ccc(I)c1F.
What is the InChIKey of 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is SVFKEJZLZAXLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIN4O/c1-16-8-5(4-14-15-9(12)13)2-3-6(11)7(8)10/h2-4H,1H3,(H4,12,13,15).
What are the key properties of 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine?
2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 336.11 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).