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

C9H11IN4O2 — CID 168591738

IUPAC2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)N)c(I)c1O
InChIInChI=1S/C9H11IN4O2/c1-16-6-3-2-5(7(10)8(6)15)4-13-14-9(11)12/h2-4,15H,1H3,(H4,11,12,14)
InChIKeyRPEKSPBDJNBPDD-UHFFFAOYSA-N
MW334.12 g/mol
LogP0.61
Rot. Bonds3

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

2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine (PubChem CID 168591738) has the molecular formula C9H11IN4O2 and a molecular weight of 334.12 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
PubChem CID168591738
Molecular FormulaC9H11IN4O2
Molecular Weight334.12 g/mol
Exact Mass333.99
IUPAC Name2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)N)c(I)c1O
InChIInChI=1S/C9H11IN4O2/c1-16-6-3-2-5(7(10)8(6)15)4-13-14-9(11)12/h2-4,15H,1H3,(H4,11,12,14)
InChIKeyRPEKSPBDJNBPDD-UHFFFAOYSA-N
XLogP0.61
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 50.61
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(3-fluoro-4-iodo-2-methoxyphenyl)methylideneamino]guanidine
CID 168591270
2-[(E)-[2-(2,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
CID 44572998
2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
CID 168591904
3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-iodo-6-methoxyphenol
CID 168630802
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 70180753
(E)-3-(3-hydroxy-2-iodo-4-methoxyphenyl)prop-2-enoic acid
CID 67512943
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine (CID 168591738) is 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine is COc1ccc(C=NN=C(N)N)c(I)c1O.
What is the InChIKey of 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is RPEKSPBDJNBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4O2/c1-16-6-3-2-5(7(10)8(6)15)4-13-14-9(11)12/h2-4,15H,1H3,(H4,11,12,14).
What are the key properties of 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine?
2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 334.12 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).