2-bromo-6-isocyanopyridine

C6H3BrN2 — CID 46398143

IUPAC2-bromo-6-isocyanopyridine
SMILES[C-]#[N+]c1cccc(Br)n1
InChIInChI=1S/C6H3BrN2/c1-8-6-4-2-3-5(7)9-6/h2-4H
InChIKeyIVQGDEWHHLWZGB-UHFFFAOYSA-N
MW183.01 g/mol
LogP2.39
Rot. Bonds

About 2-bromo-6-isocyanopyridine

2-bromo-6-isocyanopyridine (PubChem CID 46398143) has the molecular formula C6H3BrN2 and a molecular weight of 183.01 g/mol. Its IUPAC name is 2-bromo-6-isocyanopyridine.

Molecular Properties

Compound Name2-bromo-6-isocyanopyridine
PubChem CID46398143
Molecular FormulaC6H3BrN2
Molecular Weight183.01 g/mol
Exact Mass181.95
IUPAC Name2-bromo-6-isocyanopyridine
SMILES[C-]#[N+]c1cccc(Br)n1
InChIInChI=1S/C6H3BrN2/c1-8-6-4-2-3-5(7)9-6/h2-4H
InChIKeyIVQGDEWHHLWZGB-UHFFFAOYSA-N
XLogP2.39
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.01
LogP ≤ 52.39
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

2,6-Diaminopyridine
CID 8861
2-Amino-5-bromopyridine
CID 70622
2-Amino-6-bromopyridine
CID 300809
2-Pyridinamine, 5-bromo-6-methyl-
CID 170678
2,6-Dibromopyridine
CID 12274
Wisteria sinensis, ext.
CID 522994
2-Amino-3-bromopyridine
CID 817700
2-Amino-3-bromo-6-methylpyridine
CID 2734416
2-Bromo-6-iodopyridine
CID 11312130
2-Bromo-6-hydrazinopyridine
CID 19392588
6-Amino-3-bromopyridine-2-carbonitrile
CID 53402956
(Z)-N-(6-bromo-2-pyridyl)-4-chloro-dithiazol-5-imine
CID 168291633

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-isocyanopyridine?
The IUPAC name of 2-bromo-6-isocyanopyridine (CID 46398143) is 2-bromo-6-isocyanopyridine.
What is the SMILES notation for 2-bromo-6-isocyanopyridine?
The canonical SMILES for 2-bromo-6-isocyanopyridine is [C-]#[N+]c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-isocyanopyridine?
The InChIKey is IVQGDEWHHLWZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2/c1-8-6-4-2-3-5(7)9-6/h2-4H.
What are the key properties of 2-bromo-6-isocyanopyridine?
2-bromo-6-isocyanopyridine has a molecular weight of 183.01 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-isocyanopyridine is sourced from PubChem (CID 46398143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).