2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine

C15H20BrF2N3 — CID 157495607

IUPAC2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine
SMILESCCCc1ccc(F)cn1.CCN.Fc1ccc(Br)nc1
InChIInChI=1S/C8H10FN.C5H3BrFN.C2H7N/c1-2-3-8-5-4-7(9)6-10-8;6-5-2-1-4(7)3-8-5;1-2-3/h4-6H,2-3H2,1H3;1-3H;2-3H2,1H3
InChIKeyBXUJSRYUSXYQQU-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.12
Rot. Bonds2

About 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine

2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine (PubChem CID 157495607) has the molecular formula C15H20BrF2N3 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine.

Molecular Properties

Compound Name2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine
PubChem CID157495607
Molecular FormulaC15H20BrF2N3
Molecular Weight360.25 g/mol
Exact Mass359.08
IUPAC Name2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine
SMILESCCCc1ccc(F)cn1.CCN.Fc1ccc(Br)nc1
InChIInChI=1S/C8H10FN.C5H3BrFN.C2H7N/c1-2-3-8-5-4-7(9)6-10-8;6-5-2-1-4(7)3-8-5;1-2-3/h4-6H,2-3H2,1H3;1-3H;2-3H2,1H3
InChIKeyBXUJSRYUSXYQQU-UHFFFAOYSA-N
XLogP4.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine?
The IUPAC name of 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine (CID 157495607) is 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine.
What is the SMILES notation for 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine?
The canonical SMILES for 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine is CCCc1ccc(F)cn1.CCN.Fc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine?
The InChIKey is BXUJSRYUSXYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN.C5H3BrFN.C2H7N/c1-2-3-8-5-4-7(9)6-10-8;6-5-2-1-4(7)3-8-5;1-2-3/h4-6H,2-3H2,1H3;1-3H;2-3H2,1H3.
What are the key properties of 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine?
2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine has a molecular weight of 360.25 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropyridine;ethanamine;5-fluoro-2-propylpyridine is sourced from PubChem (CID 157495607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).