2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine

C14H16Br2N2 — CID 5381344

IUPAC2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine
SMILESBrC1C=CC=CN1C/C=C/CN1C=CC=CC1Br
InChIInChI=1S/C14H16Br2N2/c15-13-7-1-3-9-17(13)11-5-6-12-18-10-4-2-8-14(18)16/h1-10,13-14H,11-12H2/b6-5+
InChIKeySSAJWEKHEUXTEL-AATRIKPKSA-N
MW372.10 g/mol
LogP3.76
Rot. Bonds4

About 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine

2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine (PubChem CID 5381344) has the molecular formula C14H16Br2N2 and a molecular weight of 372.10 g/mol. Its IUPAC name is 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine
PubChem CID5381344
Molecular FormulaC14H16Br2N2
Molecular Weight372.10 g/mol
Exact Mass369.97
IUPAC Name2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine
SMILESBrC1C=CC=CN1C/C=C/CN1C=CC=CC1Br
InChIInChI=1S/C14H16Br2N2/c15-13-7-1-3-9-17(13)11-5-6-12-18-10-4-2-8-14(18)16/h1-10,13-14H,11-12H2/b6-5+
InChIKeySSAJWEKHEUXTEL-AATRIKPKSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-ethyl-2H-pyridine
CID 411856
2-bromo-1-prop-2-enyl-2H-pyridine
CID 417033
(+/-)-1-(1-Bromoethyl)pyridine
CID 23094006
1-(3-Bromopropyl)pyridine hydrobromide
CID 23151338
1-(3-bromopropyl)-2H-pyridine
CID 23151339
1-ethenyl-2H-pyridine
CID 67435524
2-bromo-1-methyl-2H-pyridine;hydrobromide
CID 67839666
1-(2-bromoethyl)-2H-pyridine
CID 69571608
6-bromo-1-prop-2-enyl-2H-pyridine
CID 124102708
1-(4-bromobutyl)-2H-pyridine;hydrobromide
CID 155319566
2-bromo-1-propyl-2H-pyridine
CID 174866960
1-[4-(2H-pyridin-1-yl)butyl]-2H-pyridine;dihydrobromide
CID 176326902

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine?
The IUPAC name of 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine (CID 5381344) is 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine.
What is the SMILES notation for 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine?
The canonical SMILES for 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine is BrC1C=CC=CN1C/C=C/CN1C=CC=CC1Br.
What is the InChIKey of 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine?
The InChIKey is SSAJWEKHEUXTEL-AATRIKPKSA-N. The full InChI is InChI=1S/C14H16Br2N2/c15-13-7-1-3-9-17(13)11-5-6-12-18-10-4-2-8-14(18)16/h1-10,13-14H,11-12H2/b6-5+.
What are the key properties of 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine?
2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine has a molecular weight of 372.10 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(E)-4-(2-bromo-2H-pyridin-1-yl)but-2-enyl]-2H-pyridine is sourced from PubChem (CID 5381344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).