5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine

C7H10BrF2N — CID 126994945

IUPAC5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)CN1CCC=C(Br)C1
InChIInChI=1S/C7H10BrF2N/c8-6-2-1-3-11(4-6)5-7(9)10/h2,7H,1,3-5H2
InChIKeyMKHNOAUURMVIDC-UHFFFAOYSA-N
MW226.06 g/mol
LogP2.24
Rot. Bonds2

About 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine

5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 126994945) has the molecular formula C7H10BrF2N and a molecular weight of 226.06 g/mol. Its IUPAC name is 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID126994945
Molecular FormulaC7H10BrF2N
Molecular Weight226.06 g/mol
Exact Mass225.00
IUPAC Name5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)CN1CCC=C(Br)C1
InChIInChI=1S/C7H10BrF2N/c8-6-2-1-3-11(4-6)5-7(9)10/h2,7H,1,3-5H2
InChIKeyMKHNOAUURMVIDC-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine (CID 126994945) is 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine is FC(F)CN1CCC=C(Br)C1.
What is the InChIKey of 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MKHNOAUURMVIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF2N/c8-6-2-1-3-11(4-6)5-7(9)10/h2,7H,1,3-5H2.
What are the key properties of 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine?
5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 226.06 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126994945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).