1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one

C9H7BrF2N2O — CID 66678736

IUPAC1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one
SMILESO=C1N(c2ccc(Br)cn2)CCC1(F)F
InChIInChI=1S/C9H7BrF2N2O/c10-6-1-2-7(13-5-6)14-4-3-9(11,12)8(14)15/h1-2,5H,3-4H2
InChIKeyRMIZIPLMAAANJF-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.22
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one

1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one (PubChem CID 66678736) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one
PubChem CID66678736
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one
SMILESO=C1N(c2ccc(Br)cn2)CCC1(F)F
InChIInChI=1S/C9H7BrF2N2O/c10-6-1-2-7(13-5-6)14-4-3-9(11,12)8(14)15/h1-2,5H,3-4H2
InChIKeyRMIZIPLMAAANJF-UHFFFAOYSA-N
XLogP2.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one (CID 66678736) is 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one is O=C1N(c2ccc(Br)cn2)CCC1(F)F.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one?
The InChIKey is RMIZIPLMAAANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c10-6-1-2-7(13-5-6)14-4-3-9(11,12)8(14)15/h1-2,5H,3-4H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one?
1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one has a molecular weight of 277.07 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one is sourced from PubChem (CID 66678736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).