3,6-dibromo-2-isocyanopyridine

C6H2Br2N2 — CID 140826022

IUPAC3,6-dibromo-2-isocyanopyridine
SMILES[C-]#[N+]c1nc(Br)ccc1Br
InChIInChI=1S/C6H2Br2N2/c1-9-6-4(7)2-3-5(8)10-6/h2-3H
InChIKeyFKAWNATXOPJDSU-UHFFFAOYSA-N
MW261.90 g/mol
LogP3.16
Rot. Bonds

About 3,6-dibromo-2-isocyanopyridine

3,6-dibromo-2-isocyanopyridine (PubChem CID 140826022) has the molecular formula C6H2Br2N2 and a molecular weight of 261.90 g/mol. Its IUPAC name is 3,6-dibromo-2-isocyanopyridine.

Molecular Properties

Compound Name3,6-dibromo-2-isocyanopyridine
PubChem CID140826022
Molecular FormulaC6H2Br2N2
Molecular Weight261.90 g/mol
Exact Mass259.86
IUPAC Name3,6-dibromo-2-isocyanopyridine
SMILES[C-]#[N+]c1nc(Br)ccc1Br
InChIInChI=1S/C6H2Br2N2/c1-9-6-4(7)2-3-5(8)10-6/h2-3H
InChIKeyFKAWNATXOPJDSU-UHFFFAOYSA-N
XLogP3.16
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.90
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-isocyano-N-(oxan-4-yl)pyridin-3-amine
CID 140760790
CID 143055728
CID 143055728
2-bromo-5-isocyanoaniline
CID 58757442
3,6-dibromo-2-pyridin-2-ylpyridine
CID 151353740
3,6-dibromopyridine-2-carbonyl iodide
CID 129069196
2,5-dibromoquinolin-8-ol
CID 10881208
2-bromo-1-isocyanonaphthalene
CID 156656042
4-isocyano-2-propan-2-ylpyrimidine
CID 84649154
5-bromo-6-isocyano-1-methylpyrrolo[2,3-b]pyridine;5-bromo-6-isocyano-1H-pyrrolo[2,3-b]pyridine
CID 162100298
3,5-dibromo-4-isocyanopyridine
CID 140746636
2,5-dibromo-8-methoxyquinoline
CID 102941160
6-bromo-2-chloropyridine-3-diazonium
CID 153453807

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2-isocyanopyridine?
The IUPAC name of 3,6-dibromo-2-isocyanopyridine (CID 140826022) is 3,6-dibromo-2-isocyanopyridine.
What is the SMILES notation for 3,6-dibromo-2-isocyanopyridine?
The canonical SMILES for 3,6-dibromo-2-isocyanopyridine is [C-]#[N+]c1nc(Br)ccc1Br.
What is the InChIKey of 3,6-dibromo-2-isocyanopyridine?
The InChIKey is FKAWNATXOPJDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2/c1-9-6-4(7)2-3-5(8)10-6/h2-3H.
What are the key properties of 3,6-dibromo-2-isocyanopyridine?
3,6-dibromo-2-isocyanopyridine has a molecular weight of 261.90 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2-isocyanopyridine is sourced from PubChem (CID 140826022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).