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

C8H7BrFN — CID 169474982

IUPAC5-(3-bromoprop-1-enyl)-2-fluoropyridine
SMILESFc1ccc(C=CCBr)cn1
InChIInChI=1S/C8H7BrFN/c9-5-1-2-7-3-4-8(10)11-6-7/h1-4,6H,5H2
InChIKeyRGDXPQXOBNFNRJ-UHFFFAOYSA-N
MW216.05 g/mol
LogP2.63
Rot. Bonds2

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

5-(3-bromoprop-1-enyl)-2-fluoropyridine (PubChem CID 169474982) has the molecular formula C8H7BrFN and a molecular weight of 216.05 g/mol. Its IUPAC name is 5-(3-bromoprop-1-enyl)-2-fluoropyridine.

Molecular Properties

Compound Name5-(3-bromoprop-1-enyl)-2-fluoropyridine
PubChem CID169474982
Molecular FormulaC8H7BrFN
Molecular Weight216.05 g/mol
Exact Mass214.97
IUPAC Name5-(3-bromoprop-1-enyl)-2-fluoropyridine
SMILESFc1ccc(C=CCBr)cn1
InChIInChI=1S/C8H7BrFN/c9-5-1-2-7-3-4-8(10)11-6-7/h1-4,6H,5H2
InChIKeyRGDXPQXOBNFNRJ-UHFFFAOYSA-N
XLogP2.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 52.63
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

4-(6-fluoro-3-pyridinyl)but-3-enal
CID 170481333
2-bromo-5-(3-bromoprop-1-enyl)pyridine
CID 169476448
5-(3-bromoprop-1-enyl)-2-methylpyrimidine
CID 169474962
4-[2-(6-fluoro-3-pyridinyl)ethenyl]aniline
CID 67482043
5-(3-azidoprop-1-enyl)-2-fluoropyridine
CID 169461269
1-[3-(6-(18F)fluoro-3-pyridinyl)prop-2-enyl]pyrrole-2,5-dione
CID 91329633
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266
2,5-difluoropyridine;ethane
CID 156832194
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 169473945
5-[3-(methylamino)prop-1-enyl]pyridin-2-amine
CID 169473070

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoprop-1-enyl)-2-fluoropyridine?
The IUPAC name of 5-(3-bromoprop-1-enyl)-2-fluoropyridine (CID 169474982) is 5-(3-bromoprop-1-enyl)-2-fluoropyridine.
What is the SMILES notation for 5-(3-bromoprop-1-enyl)-2-fluoropyridine?
The canonical SMILES for 5-(3-bromoprop-1-enyl)-2-fluoropyridine is Fc1ccc(C=CCBr)cn1.
What is the InChIKey of 5-(3-bromoprop-1-enyl)-2-fluoropyridine?
The InChIKey is RGDXPQXOBNFNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN/c9-5-1-2-7-3-4-8(10)11-6-7/h1-4,6H,5H2.
What are the key properties of 5-(3-bromoprop-1-enyl)-2-fluoropyridine?
5-(3-bromoprop-1-enyl)-2-fluoropyridine has a molecular weight of 216.05 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoprop-1-enyl)-2-fluoropyridine is sourced from PubChem (CID 169474982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).