[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol

C13H12INO2 — CID 81237579

IUPAC[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(Oc2ccc(I)cc2)c(CO)cn1
InChIInChI=1S/C13H12INO2/c1-9-6-13(10(8-16)7-15-9)17-12-4-2-11(14)3-5-12/h2-7,16H,8H2,1H3
InChIKeyPAWQPJPNFXDPPK-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.28
Rot. Bonds3

About [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol

[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol (PubChem CID 81237579) has the molecular formula C13H12INO2 and a molecular weight of 341.15 g/mol. Its IUPAC name is [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol
PubChem CID81237579
Molecular FormulaC13H12INO2
Molecular Weight341.15 g/mol
Exact Mass340.99
IUPAC Name[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(Oc2ccc(I)cc2)c(CO)cn1
InChIInChI=1S/C13H12INO2/c1-9-6-13(10(8-16)7-15-9)17-12-4-2-11(14)3-5-12/h2-7,16H,8H2,1H3
InChIKeyPAWQPJPNFXDPPK-UHFFFAOYSA-N
XLogP3.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol (CID 81237579) is [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol is Cc1cc(Oc2ccc(I)cc2)c(CO)cn1.
What is the InChIKey of [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol?
The InChIKey is PAWQPJPNFXDPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2/c1-9-6-13(10(8-16)7-15-9)17-12-4-2-11(14)3-5-12/h2-7,16H,8H2,1H3.
What are the key properties of [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol?
[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol has a molecular weight of 341.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 81237579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).