5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane

C15H19Br2IN2O — CID 157258711

IUPAC5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane
SMILESC.C.Cc1cc(Br)cnc1C=O.Cc1cc(Br)cnc1I
InChIInChI=1S/C7H6BrNO.C6H5BrIN.2CH4/c1-5-2-6(8)3-9-7(5)4-10;1-4-2-5(7)3-9-6(4)8;;/h2-4H,1H3;2-3H,1H3;2*1H4
InChIKeyAXEVQOIAAISNKO-UHFFFAOYSA-N
MW530.04 g/mol
LogP5.99
Rot. Bonds1

About 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane

5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane (PubChem CID 157258711) has the molecular formula C15H19Br2IN2O and a molecular weight of 530.04 g/mol. Its IUPAC name is 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane.

Molecular Properties

Compound Name5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane
PubChem CID157258711
Molecular FormulaC15H19Br2IN2O
Molecular Weight530.04 g/mol
Exact Mass527.89
IUPAC Name5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane
SMILESC.C.Cc1cc(Br)cnc1C=O.Cc1cc(Br)cnc1I
InChIInChI=1S/C7H6BrNO.C6H5BrIN.2CH4/c1-5-2-6(8)3-9-7(5)4-10;1-4-2-5(7)3-9-6(4)8;;/h2-4H,1H3;2-3H,1H3;2*1H4
InChIKeyAXEVQOIAAISNKO-UHFFFAOYSA-N
XLogP5.99
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.04
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3-methylpyridine-2-carbaldehyde;rhodium
CID 58047165
5-bromo-2,3-dimethylpyridine;methyl formate
CID 177034654
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 102207232
3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
CID 168866506
5-iodo-3-methylpyrazine-2-carbaldehyde
CID 89197753
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
5-bromo-3-[(E)-2-(3,4-diethylphenyl)ethenyl]-2-(6-iodo-5-methyl-3-pyridinyl)pyridine
CID 166743201
5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde
CID 169131271
methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane?
The IUPAC name of 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane (CID 157258711) is 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane.
What is the SMILES notation for 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane?
The canonical SMILES for 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane is C.C.Cc1cc(Br)cnc1C=O.Cc1cc(Br)cnc1I.
What is the InChIKey of 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane?
The InChIKey is AXEVQOIAAISNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO.C6H5BrIN.2CH4/c1-5-2-6(8)3-9-7(5)4-10;1-4-2-5(7)3-9-6(4)8;;/h2-4H,1H3;2-3H,1H3;2*1H4.
What are the key properties of 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane?
5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane has a molecular weight of 530.04 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-3-methylpyridine;5-bromo-3-methylpyridine-2-carbaldehyde;methane is sourced from PubChem (CID 157258711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).