5-bromo-2-iodo-4-methoxypyridine

C6H5BrINO — CID 133063880

IUPAC5-bromo-2-iodo-4-methoxypyridine
SMILESCOc1cc(I)ncc1Br
InChIInChI=1S/C6H5BrINO/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3
InChIKeyBNQNJBCMWOWMKJ-UHFFFAOYSA-N
MW313.92 g/mol
LogP2.46
Rot. Bonds1

About 5-bromo-2-iodo-4-methoxypyridine

5-bromo-2-iodo-4-methoxypyridine (PubChem CID 133063880) has the molecular formula C6H5BrINO and a molecular weight of 313.92 g/mol. Its IUPAC name is 5-bromo-2-iodo-4-methoxypyridine.

Molecular Properties

Compound Name5-bromo-2-iodo-4-methoxypyridine
PubChem CID133063880
Molecular FormulaC6H5BrINO
Molecular Weight313.92 g/mol
Exact Mass312.86
IUPAC Name5-bromo-2-iodo-4-methoxypyridine
SMILESCOc1cc(I)ncc1Br
InChIInChI=1S/C6H5BrINO/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3
InChIKeyBNQNJBCMWOWMKJ-UHFFFAOYSA-N
XLogP2.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 52.46
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

5-bromo-2-ethyl-4-methoxypyridine
CID 171630469
5-bromo-4-methoxy-2-phenylpyridine
CID 139429745
1-(5-bromo-4-methoxy-2-pyridinyl)ethanone
CID 84693223
methyl 5-bromo-2-iodopyridine-4-carboxylate
CID 91667368
4-bromo-6-iodopyridin-3-amine
CID 130748861
5-bromo-2-iodopyridine-4-carboxylic acid
CID 131261755
methyl 4-[(5-bromo-4-methoxy-2-pyridinyl)amino]-4-oxobutanoate
CID 89443933
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353
(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 168941013
2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol
CID 75470151
5-bromo-6-fluoro-3-methoxypyridin-2-amine
CID 135201063
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-4-methoxypyridine?
The IUPAC name of 5-bromo-2-iodo-4-methoxypyridine (CID 133063880) is 5-bromo-2-iodo-4-methoxypyridine.
What is the SMILES notation for 5-bromo-2-iodo-4-methoxypyridine?
The canonical SMILES for 5-bromo-2-iodo-4-methoxypyridine is COc1cc(I)ncc1Br.
What is the InChIKey of 5-bromo-2-iodo-4-methoxypyridine?
The InChIKey is BNQNJBCMWOWMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrINO/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3.
What are the key properties of 5-bromo-2-iodo-4-methoxypyridine?
5-bromo-2-iodo-4-methoxypyridine has a molecular weight of 313.92 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-4-methoxypyridine is sourced from PubChem (CID 133063880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).