4-bromo-3-iodo-5-methoxypyridine

C6H5BrINO — CID 133063942

IUPAC4-bromo-3-iodo-5-methoxypyridine
SMILESCOc1cncc(I)c1Br
InChIInChI=1S/C6H5BrINO/c1-10-5-3-9-2-4(8)6(5)7/h2-3H,1H3
InChIKeyNRXLCAKWIKOBTE-UHFFFAOYSA-N
MW313.92 g/mol
LogP2.46
Rot. Bonds1

About 4-bromo-3-iodo-5-methoxypyridine

4-bromo-3-iodo-5-methoxypyridine (PubChem CID 133063942) has the molecular formula C6H5BrINO and a molecular weight of 313.92 g/mol. Its IUPAC name is 4-bromo-3-iodo-5-methoxypyridine.

Molecular Properties

Compound Name4-bromo-3-iodo-5-methoxypyridine
PubChem CID133063942
Molecular FormulaC6H5BrINO
Molecular Weight313.92 g/mol
Exact Mass312.86
IUPAC Name4-bromo-3-iodo-5-methoxypyridine
SMILESCOc1cncc(I)c1Br
InChIInChI=1S/C6H5BrINO/c1-10-5-3-9-2-4(8)6(5)7/h2-3H,1H3
InChIKeyNRXLCAKWIKOBTE-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': 'iodine', 'substructure': 'N/A'}

Analyze 4-bromo-3-iodo-5-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-methoxy-5-methylpyridine
CID 118804882
4-fluoro-3-iodo-5-methoxypyridine
CID 130822941
4-(difluoromethyl)-3-iodo-5-methoxypyridine
CID 130096647
1,2,3,4-tetraiodo-5-methoxybenzene
CID 163208160
3-bromo-5-methoxypyridine-4-carbonitrile
CID 119091286
3,5-dimethoxy-4-propan-2-ylpyridine
CID 146509481
5-bromo-2-iodo-4-methoxypyridine
CID 133063880
4-bromo-2,3,5-trimethoxypyridine
CID 84706374
3,4-dichloro-5-methoxypyridine
CID 122362461
2-(3,5-dimethoxy-4-pyridinyl)ethanamine
CID 82654852
3,5-dimethoxypyridine-4-carboxamide
CID 69277472
3-bromo-5-ethoxy-4-methoxypyridine
CID 105490406

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodo-5-methoxypyridine?
The IUPAC name of 4-bromo-3-iodo-5-methoxypyridine (CID 133063942) is 4-bromo-3-iodo-5-methoxypyridine.
What is the SMILES notation for 4-bromo-3-iodo-5-methoxypyridine?
The canonical SMILES for 4-bromo-3-iodo-5-methoxypyridine is COc1cncc(I)c1Br.
What is the InChIKey of 4-bromo-3-iodo-5-methoxypyridine?
The InChIKey is NRXLCAKWIKOBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrINO/c1-10-5-3-9-2-4(8)6(5)7/h2-3H,1H3.
What are the key properties of 4-bromo-3-iodo-5-methoxypyridine?
4-bromo-3-iodo-5-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 4-bromo-3-iodo-5-methoxypyridine is sourced from PubChem (CID 133063942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).