2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine

C8H6Br2FN — CID 169476766

IUPAC2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine
SMILESFc1cnc(Br)cc1C=CCBr
InChIInChI=1S/C8H6Br2FN/c9-3-1-2-6-4-8(10)12-5-7(6)11/h1-2,4-5H,3H2
InChIKeyMXPGBQVAKXYGMK-UHFFFAOYSA-N
MW294.95 g/mol
LogP3.39
Rot. Bonds2

About 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine

2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine (PubChem CID 169476766) has the molecular formula C8H6Br2FN and a molecular weight of 294.95 g/mol. Its IUPAC name is 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine.

Molecular Properties

Compound Name2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine
PubChem CID169476766
Molecular FormulaC8H6Br2FN
Molecular Weight294.95 g/mol
Exact Mass292.89
IUPAC Name2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine
SMILESFc1cnc(Br)cc1C=CCBr
InChIInChI=1S/C8H6Br2FN/c9-3-1-2-6-4-8(10)12-5-7(6)11/h1-2,4-5H,3H2
InChIKeyMXPGBQVAKXYGMK-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.95
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide
CID 169482979
4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
CID 169475773
2-bromo-5-(3-bromoprop-1-enyl)pyridine
CID 169476448
2-(3-bromoprop-1-enyl)-4,5-difluorophenol
CID 169475416
2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
CID 169476658
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
5-(3-bromoprop-1-enyl)-2-fluoropyridine
CID 169474982
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
CID 169475530
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266
5-bromo-2-(3-bromoprop-1-enyl)pyridine
CID 169476449
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine
CID 169475561

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine?
The IUPAC name of 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine (CID 169476766) is 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine.
What is the SMILES notation for 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine?
The canonical SMILES for 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine is Fc1cnc(Br)cc1C=CCBr.
What is the InChIKey of 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine?
The InChIKey is MXPGBQVAKXYGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2FN/c9-3-1-2-6-4-8(10)12-5-7(6)11/h1-2,4-5H,3H2.
What are the key properties of 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine?
2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine has a molecular weight of 294.95 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine is sourced from PubChem (CID 169476766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).