3-bromo-2-(2-iodophenoxy)-4-methylpyridine

C12H9BrINO — CID 106875361

IUPAC3-bromo-2-(2-iodophenoxy)-4-methylpyridine
SMILESCc1ccnc(Oc2ccccc2I)c1Br
InChIInChI=1S/C12H9BrINO/c1-8-6-7-15-12(11(8)13)16-10-5-3-2-4-9(10)14/h2-7H,1H3
InChIKeyPJUAFPUTAAADPE-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.55
Rot. Bonds2

About 3-bromo-2-(2-iodophenoxy)-4-methylpyridine

3-bromo-2-(2-iodophenoxy)-4-methylpyridine (PubChem CID 106875361) has the molecular formula C12H9BrINO and a molecular weight of 390.02 g/mol. Its IUPAC name is 3-bromo-2-(2-iodophenoxy)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(2-iodophenoxy)-4-methylpyridine
PubChem CID106875361
Molecular FormulaC12H9BrINO
Molecular Weight390.02 g/mol
Exact Mass388.89
IUPAC Name3-bromo-2-(2-iodophenoxy)-4-methylpyridine
SMILESCc1ccnc(Oc2ccccc2I)c1Br
InChIInChI=1S/C12H9BrINO/c1-8-6-7-15-12(11(8)13)16-10-5-3-2-4-9(10)14/h2-7H,1H3
InChIKeyPJUAFPUTAAADPE-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
CID 106877787
3-iodo-2-(2-iodophenoxy)pyridine
CID 11475735
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109
3-(2-iodophenoxy)pyrazin-2-amine
CID 102988008
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 106878446
3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine
CID 106878063
2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016406
1-(2-iodophenoxy)-5-methoxyisoquinoline
CID 106536969
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-iodophenoxy)-4-methylpyridine?
The IUPAC name of 3-bromo-2-(2-iodophenoxy)-4-methylpyridine (CID 106875361) is 3-bromo-2-(2-iodophenoxy)-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-(2-iodophenoxy)-4-methylpyridine?
The canonical SMILES for 3-bromo-2-(2-iodophenoxy)-4-methylpyridine is Cc1ccnc(Oc2ccccc2I)c1Br.
What is the InChIKey of 3-bromo-2-(2-iodophenoxy)-4-methylpyridine?
The InChIKey is PJUAFPUTAAADPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrINO/c1-8-6-7-15-12(11(8)13)16-10-5-3-2-4-9(10)14/h2-7H,1H3.
What are the key properties of 3-bromo-2-(2-iodophenoxy)-4-methylpyridine?
3-bromo-2-(2-iodophenoxy)-4-methylpyridine has a molecular weight of 390.02 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-iodophenoxy)-4-methylpyridine is sourced from PubChem (CID 106875361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).