(3-aminoiodanuidylphenyl)methanol

C7H9INO- — CID 162754391

IUPAC(3-aminoiodanuidylphenyl)methanol
SMILESN[I-]c1cccc(CO)c1
InChIInChI=1S/C7H9INO/c9-8-7-3-1-2-6(4-7)5-10/h1-4,10H,5,9H2/q-1
InChIKeyYHCSDIBBNMZSFH-UHFFFAOYSA-N
MW250.06 g/mol
LogP-2.69
Rot. Bonds2

About (3-aminoiodanuidylphenyl)methanol

(3-aminoiodanuidylphenyl)methanol (PubChem CID 162754391) has the molecular formula C7H9INO- and a molecular weight of 250.06 g/mol. Its IUPAC name is (3-aminoiodanuidylphenyl)methanol.

Molecular Properties

Compound Name(3-aminoiodanuidylphenyl)methanol
PubChem CID162754391
Molecular FormulaC7H9INO-
Molecular Weight250.06 g/mol
Exact Mass249.97
IUPAC Name(3-aminoiodanuidylphenyl)methanol
SMILESN[I-]c1cccc(CO)c1
InChIInChI=1S/C7H9INO/c9-8-7-3-1-2-6(4-7)5-10/h1-4,10H,5,9H2/q-1
InChIKeyYHCSDIBBNMZSFH-UHFFFAOYSA-N
XLogP-2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 5-2.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-aminoiodanuidylphenyl)methanol?
The IUPAC name of (3-aminoiodanuidylphenyl)methanol (CID 162754391) is (3-aminoiodanuidylphenyl)methanol.
What is the SMILES notation for (3-aminoiodanuidylphenyl)methanol?
The canonical SMILES for (3-aminoiodanuidylphenyl)methanol is N[I-]c1cccc(CO)c1.
What is the InChIKey of (3-aminoiodanuidylphenyl)methanol?
The InChIKey is YHCSDIBBNMZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9INO/c9-8-7-3-1-2-6(4-7)5-10/h1-4,10H,5,9H2/q-1.
What are the key properties of (3-aminoiodanuidylphenyl)methanol?
(3-aminoiodanuidylphenyl)methanol has a molecular weight of 250.06 g/mol, XLogP of -2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoiodanuidylphenyl)methanol is sourced from PubChem (CID 162754391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).