6-bromo-3,5-difluoro-2,3-dihydropyridine

C5H4BrF2N — CID 146397651

IUPAC6-bromo-3,5-difluoro-2,3-dihydropyridine
SMILESFC1=CC(F)CN=C1Br
InChIInChI=1S/C5H4BrF2N/c6-5-4(8)1-3(7)2-9-5/h1,3H,2H2
InChIKeyROEKWALAJCUSKX-UHFFFAOYSA-N
MW195.99 g/mol
LogP1.98
Rot. Bonds

About 6-bromo-3,5-difluoro-2,3-dihydropyridine

6-bromo-3,5-difluoro-2,3-dihydropyridine (PubChem CID 146397651) has the molecular formula C5H4BrF2N and a molecular weight of 195.99 g/mol. Its IUPAC name is 6-bromo-3,5-difluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name6-bromo-3,5-difluoro-2,3-dihydropyridine
PubChem CID146397651
Molecular FormulaC5H4BrF2N
Molecular Weight195.99 g/mol
Exact Mass194.95
IUPAC Name6-bromo-3,5-difluoro-2,3-dihydropyridine
SMILESFC1=CC(F)CN=C1Br
InChIInChI=1S/C5H4BrF2N/c6-5-4(8)1-3(7)2-9-5/h1,3H,2H2
InChIKeyROEKWALAJCUSKX-UHFFFAOYSA-N
XLogP1.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,5-difluoro-2,3-dihydropyridine?
The IUPAC name of 6-bromo-3,5-difluoro-2,3-dihydropyridine (CID 146397651) is 6-bromo-3,5-difluoro-2,3-dihydropyridine.
What is the SMILES notation for 6-bromo-3,5-difluoro-2,3-dihydropyridine?
The canonical SMILES for 6-bromo-3,5-difluoro-2,3-dihydropyridine is FC1=CC(F)CN=C1Br.
What is the InChIKey of 6-bromo-3,5-difluoro-2,3-dihydropyridine?
The InChIKey is ROEKWALAJCUSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2N/c6-5-4(8)1-3(7)2-9-5/h1,3H,2H2.
What are the key properties of 6-bromo-3,5-difluoro-2,3-dihydropyridine?
6-bromo-3,5-difluoro-2,3-dihydropyridine has a molecular weight of 195.99 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,5-difluoro-2,3-dihydropyridine is sourced from PubChem (CID 146397651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).