2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone

C12H13BrF2N2O — CID 169488552

IUPAC2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
SMILESO=C(Cc1cncc(Br)c1)N1CCCC(F)(F)C1
InChIInChI=1S/C12H13BrF2N2O/c13-10-4-9(6-16-7-10)5-11(18)17-3-1-2-12(14,15)8-17/h4,6-7H,1-3,5,8H2
InChIKeyOGOZLDOXMNNDPN-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.64
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone

2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone (PubChem CID 169488552) has the molecular formula C12H13BrF2N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
PubChem CID169488552
Molecular FormulaC12H13BrF2N2O
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
SMILESO=C(Cc1cncc(Br)c1)N1CCCC(F)(F)C1
InChIInChI=1S/C12H13BrF2N2O/c13-10-4-9(6-16-7-10)5-11(18)17-3-1-2-12(14,15)8-17/h4,6-7H,1-3,5,8H2
InChIKeyOGOZLDOXMNNDPN-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
CID 18985988
2-(4-bromophenyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
CID 121409675
tert-butyl 4-[2-(5-bromo-3-pyridinyl)acetyl]piperazine-1-carboxylate
CID 169488557
1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116576762
3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine
CID 144555247
2-(5-bromo-3-pyridinyl)-1-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethanone
CID 3728542
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
1-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 170994978
2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone
CID 74228366
5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 39229520
1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone (CID 169488552) is 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone is O=C(Cc1cncc(Br)c1)N1CCCC(F)(F)C1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone?
The InChIKey is OGOZLDOXMNNDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O/c13-10-4-9(6-16-7-10)5-11(18)17-3-1-2-12(14,15)8-17/h4,6-7H,1-3,5,8H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone has a molecular weight of 319.15 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3,3-difluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 169488552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).