2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine

C8H5Br2F2N — CID 10615061

IUPAC2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine
SMILESC=CCc1c(F)c(Br)nc(Br)c1F
InChIInChI=1S/C8H5Br2F2N/c1-2-3-4-5(11)7(9)13-8(10)6(4)12/h2H,1,3H2
InChIKeyWNZOJHGNDPLXCC-UHFFFAOYSA-N
MW312.94 g/mol
LogP3.61
Rot. Bonds2

About 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine

2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine (PubChem CID 10615061) has the molecular formula C8H5Br2F2N and a molecular weight of 312.94 g/mol. Its IUPAC name is 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine.

Molecular Properties

Compound Name2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine
PubChem CID10615061
Molecular FormulaC8H5Br2F2N
Molecular Weight312.94 g/mol
Exact Mass310.88
IUPAC Name2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine
SMILESC=CCc1c(F)c(Br)nc(Br)c1F
InChIInChI=1S/C8H5Br2F2N/c1-2-3-4-5(11)7(9)13-8(10)6(4)12/h2H,1,3H2
InChIKeyWNZOJHGNDPLXCC-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.94
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine?
The IUPAC name of 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine (CID 10615061) is 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine.
What is the SMILES notation for 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine?
The canonical SMILES for 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine is C=CCc1c(F)c(Br)nc(Br)c1F.
What is the InChIKey of 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine?
The InChIKey is WNZOJHGNDPLXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F2N/c1-2-3-4-5(11)7(9)13-8(10)6(4)12/h2H,1,3H2.
What are the key properties of 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine?
2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine has a molecular weight of 312.94 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3,5-difluoro-4-prop-2-enylpyridine is sourced from PubChem (CID 10615061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).