N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide

C8H9IN2O2 — CID 121290420

IUPACN'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(I)cc1/C(N)=N/O
InChIInChI=1S/C8H9IN2O2/c1-13-7-3-2-5(9)4-6(7)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyLUSYTGQXVNSUCT-UHFFFAOYSA-N
MW292.08 g/mol
LogP1.39
Rot. Bonds2

About N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide

N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide (PubChem CID 121290420) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide
PubChem CID121290420
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC NameN'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(I)cc1/C(N)=N/O
InChIInChI=1S/C8H9IN2O2/c1-13-7-3-2-5(9)4-6(7)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyLUSYTGQXVNSUCT-UHFFFAOYSA-N
XLogP1.39
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.39
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
methyl 3-[(E)-N'-hydroxycarbamimidoyl]-4-methoxybenzoate
CID 51063639
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
4,5-difluoro-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 83881115
2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 82648135
5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065983
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
5-[[bis(2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065876
N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65340258
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338672

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide (CID 121290420) is N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide is COc1ccc(I)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide?
The InChIKey is LUSYTGQXVNSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O2/c1-13-7-3-2-5(9)4-6(7)8(10)11-12/h2-4,12H,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide?
N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide has a molecular weight of 292.08 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 121290420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).