[4-(2-iodophenoxy)-3-pyridinyl]methanol

C12H10INO2 — CID 81237584

IUPAC[4-(2-iodophenoxy)-3-pyridinyl]methanol
SMILESOCc1cnccc1Oc1ccccc1I
InChIInChI=1S/C12H10INO2/c13-10-3-1-2-4-12(10)16-11-5-6-14-7-9(11)8-15/h1-7,15H,8H2
InChIKeyLFJUAGOHSJIOGT-UHFFFAOYSA-N
MW327.12 g/mol
LogP2.97
Rot. Bonds3

About [4-(2-iodophenoxy)-3-pyridinyl]methanol

[4-(2-iodophenoxy)-3-pyridinyl]methanol (PubChem CID 81237584) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is [4-(2-iodophenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2-iodophenoxy)-3-pyridinyl]methanol
PubChem CID81237584
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC Name[4-(2-iodophenoxy)-3-pyridinyl]methanol
SMILESOCc1cnccc1Oc1ccccc1I
InChIInChI=1S/C12H10INO2/c13-10-3-1-2-4-12(10)16-11-5-6-14-7-9(11)8-15/h1-7,15H,8H2
InChIKeyLFJUAGOHSJIOGT-UHFFFAOYSA-N
XLogP2.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 52.97
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-phenoxy-3-pyridinyl)methanol
CID 67434840
(4-quinolin-8-yloxy-3-pyridinyl)methanol
CID 81238948
(4-iodo-3-pyridinyl)methanol
CID 119092620
2-[2-[[4-(hydroxymethyl)-3-pyridinyl]oxy]phenyl]ethanol
CID 107713866
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
CID 107713386
[4-(3,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 81237951
[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 81237603
2-(2-iodophenoxy)pyrazine
CID 60965646
2-[2-[(3-methyl-4-pyridinyl)oxy]phenyl]acetic acid
CID 80742147
8-(2-iodophenoxy)isoquinolin-5-amine
CID 103139878
[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol
CID 81239132
2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107713784

Frequently Asked Questions

What is the IUPAC name of [4-(2-iodophenoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-(2-iodophenoxy)-3-pyridinyl]methanol (CID 81237584) is [4-(2-iodophenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(2-iodophenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-(2-iodophenoxy)-3-pyridinyl]methanol is OCc1cnccc1Oc1ccccc1I.
What is the InChIKey of [4-(2-iodophenoxy)-3-pyridinyl]methanol?
The InChIKey is LFJUAGOHSJIOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c13-10-3-1-2-4-12(10)16-11-5-6-14-7-9(11)8-15/h1-7,15H,8H2.
What are the key properties of [4-(2-iodophenoxy)-3-pyridinyl]methanol?
[4-(2-iodophenoxy)-3-pyridinyl]methanol has a molecular weight of 327.12 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-iodophenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 81237584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).