2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine

C26H25Br4N5O — CID 158518728

IUPAC2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine
SMILESC=Cc1ccc(Br)nc1.CCc1ccc(Br)nc1.NCc1ccc(Br)nc1.O=Cc1ccc(Br)nc1
InChIInChI=1S/C7H8BrN.C7H6BrN.C6H7BrN2.C6H4BrNO/c2*1-2-6-3-4-7(8)9-5-6;7-6-2-1-5(3-8)4-9-6;7-6-2-1-5(4-9)3-8-6/h3-5H,2H2,1H3;2-5H,1H2;1-2,4H,3,8H2;1-4H
InChIKeyHLYLFKRZGYIFNS-UHFFFAOYSA-N
MW743.14 g/mol
LogP7.85
Rot. Bonds4

About 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine

2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine (PubChem CID 158518728) has the molecular formula C26H25Br4N5O and a molecular weight of 743.14 g/mol. Its IUPAC name is 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine.

Molecular Properties

Compound Name2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine
PubChem CID158518728
Molecular FormulaC26H25Br4N5O
Molecular Weight743.14 g/mol
Exact Mass738.88
IUPAC Name2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine
SMILESC=Cc1ccc(Br)nc1.CCc1ccc(Br)nc1.NCc1ccc(Br)nc1.O=Cc1ccc(Br)nc1
InChIInChI=1S/C7H8BrN.C7H6BrN.C6H7BrN2.C6H4BrNO/c2*1-2-6-3-4-7(8)9-5-6;7-6-2-1-5(3-8)4-9-6;7-6-2-1-5(4-9)3-8-6/h3-5H,2H2,1H3;2-5H,1H2;1-2,4H,3,8H2;1-4H
InChIKeyHLYLFKRZGYIFNS-UHFFFAOYSA-N
XLogP7.85
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.14
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine?
The IUPAC name of 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine (CID 158518728) is 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine.
What is the SMILES notation for 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine?
The canonical SMILES for 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine is C=Cc1ccc(Br)nc1.CCc1ccc(Br)nc1.NCc1ccc(Br)nc1.O=Cc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine?
The InChIKey is HLYLFKRZGYIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.C7H6BrN.C6H7BrN2.C6H4BrNO/c2*1-2-6-3-4-7(8)9-5-6;7-6-2-1-5(3-8)4-9-6;7-6-2-1-5(4-9)3-8-6/h3-5H,2H2,1H3;2-5H,1H2;1-2,4H,3,8H2;1-4H.
What are the key properties of 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine?
2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine has a molecular weight of 743.14 g/mol, XLogP of 7.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethenylpyridine;2-bromo-5-ethylpyridine;6-bromopyridine-3-carbaldehyde;(6-bromo-3-pyridinyl)methanamine is sourced from PubChem (CID 158518728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).