6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine

C9H11BrN2 — CID 131242535

IUPAC6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine
SMILESC/C=C/CNc1cccc(Br)n1
InChIInChI=1S/C9H11BrN2/c1-2-3-7-11-9-6-4-5-8(10)12-9/h2-6H,7H2,1H3,(H,11,12)/b3-2+
InChIKeyVEGCIHATNHJDAA-NSCUHMNNSA-N
MW227.11 g/mol
LogP2.83
Rot. Bonds3

About 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine

6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine (PubChem CID 131242535) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine
PubChem CID131242535
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine
SMILESC/C=C/CNc1cccc(Br)n1
InChIInChI=1S/C9H11BrN2/c1-2-3-7-11-9-6-4-5-8(10)12-9/h2-6H,7H2,1H3,(H,11,12)/b3-2+
InChIKeyVEGCIHATNHJDAA-NSCUHMNNSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-bromopyridine
CID 70622
2-Pyridinamine, 5-bromo-6-methyl-
CID 170678
2-Pyridinamine, N-methyl-
CID 20727
2-Amino-6-bromopyridine
CID 300809
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
2-Allylaminopyridine
CID 260916
N-(propan-2-yl)pyridin-2-amine
CID 2366450
N-(4-bromobenzyl)-6-methylpyridin-2-amine
CID 975979
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
N-(5-bromopyridin-2-yl)propanamide
CID 774878

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine (CID 131242535) is 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine is C/C=C/CNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine?
The InChIKey is VEGCIHATNHJDAA-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-2-3-7-11-9-6-4-5-8(10)12-9/h2-6H,7H2,1H3,(H,11,12)/b3-2+.
What are the key properties of 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine?
6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine has a molecular weight of 227.11 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(E)-but-2-enyl]pyridin-2-amine is sourced from PubChem (CID 131242535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).