3-bromo-6-iodo-2-phenylmethoxypyridine

C12H9BrINO — CID 90076323

IUPAC3-bromo-6-iodo-2-phenylmethoxypyridine
SMILESBrc1ccc(I)nc1OCc1ccccc1
InChIInChI=1S/C12H9BrINO/c13-10-6-7-11(14)15-12(10)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyPHQKPRIHVZUMDO-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.03
Rot. Bonds3

About 3-bromo-6-iodo-2-phenylmethoxypyridine

3-bromo-6-iodo-2-phenylmethoxypyridine (PubChem CID 90076323) has the molecular formula C12H9BrINO and a molecular weight of 390.02 g/mol. Its IUPAC name is 3-bromo-6-iodo-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-bromo-6-iodo-2-phenylmethoxypyridine
PubChem CID90076323
Molecular FormulaC12H9BrINO
Molecular Weight390.02 g/mol
Exact Mass388.89
IUPAC Name3-bromo-6-iodo-2-phenylmethoxypyridine
SMILESBrc1ccc(I)nc1OCc1ccccc1
InChIInChI=1S/C12H9BrINO/c13-10-6-7-11(14)15-12(10)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyPHQKPRIHVZUMDO-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
CID 67127321
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine
CID 142506302
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
5-bromo-6-phenylmethoxypyridine-2,4-diamine
CID 25094363
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine
CID 122543842
7-bromo-1-phenylmethoxyisoquinoline
CID 86710700
3-iodo-2-phenylmethoxypyridin-4-amine
CID 127263634

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-iodo-2-phenylmethoxypyridine?
The IUPAC name of 3-bromo-6-iodo-2-phenylmethoxypyridine (CID 90076323) is 3-bromo-6-iodo-2-phenylmethoxypyridine.
What is the SMILES notation for 3-bromo-6-iodo-2-phenylmethoxypyridine?
The canonical SMILES for 3-bromo-6-iodo-2-phenylmethoxypyridine is Brc1ccc(I)nc1OCc1ccccc1.
What is the InChIKey of 3-bromo-6-iodo-2-phenylmethoxypyridine?
The InChIKey is PHQKPRIHVZUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrINO/c13-10-6-7-11(14)15-12(10)16-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-bromo-6-iodo-2-phenylmethoxypyridine?
3-bromo-6-iodo-2-phenylmethoxypyridine 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-6-iodo-2-phenylmethoxypyridine is sourced from PubChem (CID 90076323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).