3,6-dibromopyridine-2-carbonyl iodide

C6H2Br2INO — CID 129069196

IUPAC3,6-dibromopyridine-2-carbonyl iodide
SMILESO=C(I)c1nc(Br)ccc1Br
InChIInChI=1S/C6H2Br2INO/c7-3-1-2-4(8)10-5(3)6(9)11/h1-2H
InChIKeyCRIPKMPJJGIHLJ-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.18
Rot. Bonds1

About 3,6-dibromopyridine-2-carbonyl iodide

3,6-dibromopyridine-2-carbonyl iodide (PubChem CID 129069196) has the molecular formula C6H2Br2INO and a molecular weight of 390.80 g/mol. Its IUPAC name is 3,6-dibromopyridine-2-carbonyl iodide.

Molecular Properties

Compound Name3,6-dibromopyridine-2-carbonyl iodide
PubChem CID129069196
Molecular FormulaC6H2Br2INO
Molecular Weight390.80 g/mol
Exact Mass388.75
IUPAC Name3,6-dibromopyridine-2-carbonyl iodide
SMILESO=C(I)c1nc(Br)ccc1Br
InChIInChI=1S/C6H2Br2INO/c7-3-1-2-4(8)10-5(3)6(9)11/h1-2H
InChIKeyCRIPKMPJJGIHLJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetyl-6-bromopyridine
CID 11298578
6-Bromopyridine-2-carbaldehyde
CID 2757009
6-Bromopyridine-2-carboxamide
CID 21961408
1-(6-Bromopyridin-2-yl)-2-fluoropropan-1-one
CID 118664092
3,6-Dibromopyridine-2-carbaldehyde
CID 59268909
5-Bromo-6-methylpicolinaldehyde
CID 15094704
6-Bromo-3-fluoropyridine-2-carbaldehyde
CID 16414238
6-Bromo-5-fluoropyridine-2-carbaldehyde
CID 22149556
4-Bromo-6-methylpyridine-2-carbaldehyde
CID 23149477
1-(6-Bromopyridin-2-yl)-2-fluoroethanone
CID 59526299
3-Bromo-6-chloropyridine-2-carbaldehyde
CID 71721004
5-Bromo-6-chloropyridine-2-carbaldehyde
CID 71721005

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromopyridine-2-carbonyl iodide?
The IUPAC name of 3,6-dibromopyridine-2-carbonyl iodide (CID 129069196) is 3,6-dibromopyridine-2-carbonyl iodide.
What is the SMILES notation for 3,6-dibromopyridine-2-carbonyl iodide?
The canonical SMILES for 3,6-dibromopyridine-2-carbonyl iodide is O=C(I)c1nc(Br)ccc1Br.
What is the InChIKey of 3,6-dibromopyridine-2-carbonyl iodide?
The InChIKey is CRIPKMPJJGIHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2INO/c7-3-1-2-4(8)10-5(3)6(9)11/h1-2H.
What are the key properties of 3,6-dibromopyridine-2-carbonyl iodide?
3,6-dibromopyridine-2-carbonyl iodide has a molecular weight of 390.80 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromopyridine-2-carbonyl iodide is sourced from PubChem (CID 129069196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).