[5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol

C14H12Cl2INO3 — CID 57395254

IUPAC[5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol
SMILESOCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1
InChIInChI=1S/C14H12Cl2INO3/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-19)18-14(13)17/h1-4,7,19H,5-6,8H2
InChIKeyIZJSTXREMAZROG-UHFFFAOYSA-N
MW440.06 g/mol
LogP3.94
Rot. Bonds6

About [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol

[5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol (PubChem CID 57395254) has the molecular formula C14H12Cl2INO3 and a molecular weight of 440.06 g/mol. Its IUPAC name is [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol
PubChem CID57395254
Molecular FormulaC14H12Cl2INO3
Molecular Weight440.06 g/mol
Exact Mass438.92
IUPAC Name[5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol
SMILESOCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1
InChIInChI=1S/C14H12Cl2INO3/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-19)18-14(13)17/h1-4,7,19H,5-6,8H2
InChIKeyIZJSTXREMAZROG-UHFFFAOYSA-N
XLogP3.94
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.06
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol?
The IUPAC name of [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol (CID 57395254) is [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol.
What is the SMILES notation for [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol?
The canonical SMILES for [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol is OCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1.
What is the InChIKey of [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol?
The InChIKey is IZJSTXREMAZROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2INO3/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-19)18-14(13)17/h1-4,7,19H,5-6,8H2.
What are the key properties of [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol?
[5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol has a molecular weight of 440.06 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,4-dichlorophenoxy)ethoxy]-6-iodo-2-pyridinyl]methanol is sourced from PubChem (CID 57395254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).