2-hydroxy-4-iodo-3-methylbenzenecarboximidamide

C8H9IN2O — CID 141275525

IUPAC2-hydroxy-4-iodo-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(I)c(C)c1O
InChIInChI=1S/C8H9IN2O/c1-4-6(9)3-2-5(7(4)12)8(10)11/h2-3,12H,1H3,(H3,10,11)
InChIKeyVLCFEMXQFVNCOF-UHFFFAOYSA-N
MW276.08 g/mol
LogP1.59
Rot. Bonds1

About 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide

2-hydroxy-4-iodo-3-methylbenzenecarboximidamide (PubChem CID 141275525) has the molecular formula C8H9IN2O and a molecular weight of 276.08 g/mol. Its IUPAC name is 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-hydroxy-4-iodo-3-methylbenzenecarboximidamide
PubChem CID141275525
Molecular FormulaC8H9IN2O
Molecular Weight276.08 g/mol
Exact Mass275.98
IUPAC Name2-hydroxy-4-iodo-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(I)c(C)c1O
InChIInChI=1S/C8H9IN2O/c1-4-6(9)3-2-5(7(4)12)8(10)11/h2-3,12H,1H3,(H3,10,11)
InChIKeyVLCFEMXQFVNCOF-UHFFFAOYSA-N
XLogP1.59
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

3,6-diiodo-2-methylphenol
CID 131073470
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477
4-hydroxy-1,3-dioxo-2-benzofuran-5-carboximidamide
CID 174617605
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-carbamimidoyl-2-fluoro-3-methylbenzenesulfinate
CID 57193002
6-ethylsulfanyl-2-methylpyridine-3-carboximidamide
CID 130560250
6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
CID 82452729
3-(1-chloro-2-oxopropyl)-2-hydroxybenzenecarboximidamide
CID 175298497
2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride
CID 174920127
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992
2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 137025781
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide?
The IUPAC name of 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide (CID 141275525) is 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(I)c(C)c1O.
What is the InChIKey of 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide?
The InChIKey is VLCFEMXQFVNCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O/c1-4-6(9)3-2-5(7(4)12)8(10)11/h2-3,12H,1H3,(H3,10,11).
What are the key properties of 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide?
2-hydroxy-4-iodo-3-methylbenzenecarboximidamide has a molecular weight of 276.08 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-iodo-3-methylbenzenecarboximidamide is sourced from PubChem (CID 141275525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).