5-bromo-2-(isocyanomethyl)pyridine

C7H5BrN2 — CID 58496299

IUPAC5-bromo-2-(isocyanomethyl)pyridine
SMILES[C-]#[N+]Cc1ccc(Br)cn1
InChIInChI=1S/C7H5BrN2/c1-9-5-7-3-2-6(8)4-10-7/h2-4H,5H2
InChIKeyIUJMIPIEBJIHBP-UHFFFAOYSA-N
MW197.03 g/mol
LogP2.26
Rot. Bonds1

About 5-bromo-2-(isocyanomethyl)pyridine

5-bromo-2-(isocyanomethyl)pyridine (PubChem CID 58496299) has the molecular formula C7H5BrN2 and a molecular weight of 197.03 g/mol. Its IUPAC name is 5-bromo-2-(isocyanomethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(isocyanomethyl)pyridine
PubChem CID58496299
Molecular FormulaC7H5BrN2
Molecular Weight197.03 g/mol
Exact Mass195.96
IUPAC Name5-bromo-2-(isocyanomethyl)pyridine
SMILES[C-]#[N+]Cc1ccc(Br)cn1
InChIInChI=1S/C7H5BrN2/c1-9-5-7-3-2-6(8)4-10-7/h2-4H,5H2
InChIKeyIUJMIPIEBJIHBP-UHFFFAOYSA-N
XLogP2.26
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(azidomethyl)-5-bromopyridine
CID 90266378
(5-bromo-2-pyridinyl)methylboronic acid
CID 104811315
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
CID 115622309
(5-bromo-2-pyridinyl)methylphosphonic acid
CID 53363175
2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide
CID 130167206
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
5-bromopyridine-2-thiolate
CID 26338075
1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
CID 104799626
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
(5-bromo-2-pyridinyl)methyl dihydrogen phosphate
CID 174977338

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(isocyanomethyl)pyridine?
The IUPAC name of 5-bromo-2-(isocyanomethyl)pyridine (CID 58496299) is 5-bromo-2-(isocyanomethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(isocyanomethyl)pyridine?
The canonical SMILES for 5-bromo-2-(isocyanomethyl)pyridine is [C-]#[N+]Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(isocyanomethyl)pyridine?
The InChIKey is IUJMIPIEBJIHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c1-9-5-7-3-2-6(8)4-10-7/h2-4H,5H2.
What are the key properties of 5-bromo-2-(isocyanomethyl)pyridine?
5-bromo-2-(isocyanomethyl)pyridine has a molecular weight of 197.03 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(isocyanomethyl)pyridine is sourced from PubChem (CID 58496299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).