[5-(4-iodophenoxy)pyrazin-2-yl]methanol

C11H9IN2O2 — CID 107373099

IUPAC[5-(4-iodophenoxy)pyrazin-2-yl]methanol
SMILESOCc1cnc(Oc2ccc(I)cc2)cn1
InChIInChI=1S/C11H9IN2O2/c12-8-1-3-10(4-2-8)16-11-6-13-9(7-15)5-14-11/h1-6,15H,7H2
InChIKeyJEHPREOGBNLPKR-UHFFFAOYSA-N
MW328.11 g/mol
LogP2.37
Rot. Bonds3

About [5-(4-iodophenoxy)pyrazin-2-yl]methanol

[5-(4-iodophenoxy)pyrazin-2-yl]methanol (PubChem CID 107373099) has the molecular formula C11H9IN2O2 and a molecular weight of 328.11 g/mol. Its IUPAC name is [5-(4-iodophenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-iodophenoxy)pyrazin-2-yl]methanol
PubChem CID107373099
Molecular FormulaC11H9IN2O2
Molecular Weight328.11 g/mol
Exact Mass327.97
IUPAC Name[5-(4-iodophenoxy)pyrazin-2-yl]methanol
SMILESOCc1cnc(Oc2ccc(I)cc2)cn1
InChIInChI=1S/C11H9IN2O2/c12-8-1-3-10(4-2-8)16-11-6-13-9(7-15)5-14-11/h1-6,15H,7H2
InChIKeyJEHPREOGBNLPKR-UHFFFAOYSA-N
XLogP2.37
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-bromophenoxy)pyrazin-2-yl]methanol
CID 107373072
(5-naphthalen-2-yloxypyrazin-2-yl)methanol
CID 107373089
[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol
CID 107667536
[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
CID 107373077
[5-(3-chlorophenoxy)pyrazin-2-yl]methanol
CID 107373083
[5-(1-ethylpyrazol-4-yl)oxypyrazin-2-yl]methanol
CID 107373241
[5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazin-2-yl]methanol
CID 122178901
6-(4-iodophenoxy)pyridine-3-carbaldehyde
CID 80632740
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
[5-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazin-2-yl]methanol
CID 107373257
[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373102
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
CID 107373261

Frequently Asked Questions

What is the IUPAC name of [5-(4-iodophenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(4-iodophenoxy)pyrazin-2-yl]methanol (CID 107373099) is [5-(4-iodophenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(4-iodophenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(4-iodophenoxy)pyrazin-2-yl]methanol is OCc1cnc(Oc2ccc(I)cc2)cn1.
What is the InChIKey of [5-(4-iodophenoxy)pyrazin-2-yl]methanol?
The InChIKey is JEHPREOGBNLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O2/c12-8-1-3-10(4-2-8)16-11-6-13-9(7-15)5-14-11/h1-6,15H,7H2.
What are the key properties of [5-(4-iodophenoxy)pyrazin-2-yl]methanol?
[5-(4-iodophenoxy)pyrazin-2-yl]methanol has a molecular weight of 328.11 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-iodophenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).