5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine

C8H12BrF2N — CID 130739929

IUPAC5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(Br)CN(CC(F)F)CC1
InChIInChI=1S/C8H12BrF2N/c1-6-2-3-12(4-7(6)9)5-8(10)11/h8H,2-5H2,1H3
InChIKeyFWWCAMWCLHGEFY-UHFFFAOYSA-N
MW240.09 g/mol
LogP2.63
Rot. Bonds2

About 5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine

5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 130739929) has the molecular formula C8H12BrF2N and a molecular weight of 240.09 g/mol. Its IUPAC name is 5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID130739929
Molecular FormulaC8H12BrF2N
Molecular Weight240.09 g/mol
Exact Mass239.01
IUPAC Name5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(Br)CN(CC(F)F)CC1
InChIInChI=1S/C8H12BrF2N/c1-6-2-3-12(4-7(6)9)5-8(10)11/h8H,2-5H2,1H3
InChIKeyFWWCAMWCLHGEFY-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 52.63
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)-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine (CID 130739929) is 5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine is CC1=C(Br)CN(CC(F)F)CC1.
What is the InChIKey of 5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is FWWCAMWCLHGEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF2N/c1-6-2-3-12(4-7(6)9)5-8(10)11/h8H,2-5H2,1H3.
What are the key properties of 5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine?
5-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 240.09 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-bromo-1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130739929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).