3-bromo-5-[(4-iodophenoxy)methyl]pyridine

C12H9BrINO — CID 115582275

IUPAC3-bromo-5-[(4-iodophenoxy)methyl]pyridine
SMILESBrc1cncc(COc2ccc(I)cc2)c1
InChIInChI=1S/C12H9BrINO/c13-10-5-9(6-15-7-10)8-16-12-3-1-11(14)2-4-12/h1-7H,8H2
InChIKeyGDNNOSRXXZNARV-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.03
Rot. Bonds3

About 3-bromo-5-[(4-iodophenoxy)methyl]pyridine

3-bromo-5-[(4-iodophenoxy)methyl]pyridine (PubChem CID 115582275) has the molecular formula C12H9BrINO and a molecular weight of 390.02 g/mol. Its IUPAC name is 3-bromo-5-[(4-iodophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(4-iodophenoxy)methyl]pyridine
PubChem CID115582275
Molecular FormulaC12H9BrINO
Molecular Weight390.02 g/mol
Exact Mass388.89
IUPAC Name3-bromo-5-[(4-iodophenoxy)methyl]pyridine
SMILESBrc1cncc(COc2ccc(I)cc2)c1
InChIInChI=1S/C12H9BrINO/c13-10-5-9(6-15-7-10)8-16-12-3-1-11(14)2-4-12/h1-7H,8H2
InChIKeyGDNNOSRXXZNARV-UHFFFAOYSA-N
XLogP4.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.03
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-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]propan-1-amine
CID 104796044
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103567139
3-bromo-5-phenylmethoxypyridine
CID 15389198
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-iodophenoxy)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(4-iodophenoxy)methyl]pyridine (CID 115582275) is 3-bromo-5-[(4-iodophenoxy)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(4-iodophenoxy)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(4-iodophenoxy)methyl]pyridine is Brc1cncc(COc2ccc(I)cc2)c1.
What is the InChIKey of 3-bromo-5-[(4-iodophenoxy)methyl]pyridine?
The InChIKey is GDNNOSRXXZNARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrINO/c13-10-5-9(6-15-7-10)8-16-12-3-1-11(14)2-4-12/h1-7H,8H2.
What are the key properties of 3-bromo-5-[(4-iodophenoxy)methyl]pyridine?
3-bromo-5-[(4-iodophenoxy)methyl]pyridine has a molecular weight of 390.02 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-iodophenoxy)methyl]pyridine is sourced from PubChem (CID 115582275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).