[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol

C12H9ClINO2 — CID 61255474

IUPAC[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(Oc2cccc(I)c2)c(Cl)c1
InChIInChI=1S/C12H9ClINO2/c13-11-4-8(7-16)6-15-12(11)17-10-3-1-2-9(14)5-10/h1-6,16H,7H2
InChIKeyMKMDUWAROORCCZ-UHFFFAOYSA-N
MW361.57 g/mol
LogP3.62
Rot. Bonds3

About [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol

[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol (PubChem CID 61255474) has the molecular formula C12H9ClINO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol
PubChem CID61255474
Molecular FormulaC12H9ClINO2
Molecular Weight361.57 g/mol
Exact Mass360.94
IUPAC Name[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(Oc2cccc(I)c2)c(Cl)c1
InChIInChI=1S/C12H9ClINO2/c13-11-4-8(7-16)6-15-12(11)17-10-3-1-2-9(14)5-10/h1-6,16H,7H2
InChIKeyMKMDUWAROORCCZ-UHFFFAOYSA-N
XLogP3.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-Dichloro-pyridin-2-yloxy)-phenol
CID 620880
4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxyphenol
CID 9795997
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenol
CID 2782994
(6-(Benzyloxy)pyridin-3-yl)methanol
CID 59255139
4-[(E)-2-[6-(2-hydroxyethoxy)-5-iodo-3-pyridinyl]ethenyl]phenol
CID 16221567
4-[(E)-2-[6-(2-hydroxyethoxy)-5-(125I)iodo-3-pyridinyl]ethenyl](125I)phenol
CID 16221569
2-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107709644
2-(4-Butoxyphenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 172433752
3-[2-(4-Chloro-3-iodophenoxy)ethyl]-1-oxidopyridin-1-ium
CID 172452339
3-[2-(4-Chloro-2-iodophenoxy)ethyl]-1-oxidopyridin-1-ium
CID 172468690
4-(3,5-Dichloro-pyridin-4-yloxy)-phenol
CID 2726587

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol (CID 61255474) is [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol is OCc1cnc(Oc2cccc(I)c2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol?
The InChIKey is MKMDUWAROORCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO2/c13-11-4-8(7-16)6-15-12(11)17-10-3-1-2-9(14)5-10/h1-6,16H,7H2.
What are the key properties of [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol?
[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol has a molecular weight of 361.57 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 61255474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).