(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone

C11H13BrN2O2 — CID 103752322

IUPAC(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccnc(Br)c1)N1CCC(O)CC1
InChIInChI=1S/C11H13BrN2O2/c12-10-7-8(1-4-13-10)11(16)14-5-2-9(15)3-6-14/h1,4,7,9,15H,2-3,5-6H2
InChIKeyAOYVGPDARAITDB-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds1

About (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone

(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 103752322) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID103752322
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccnc(Br)c1)N1CCC(O)CC1
InChIInChI=1S/C11H13BrN2O2/c12-10-7-8(1-4-13-10)11(16)14-5-2-9(15)3-6-14/h1,4,7,9,15H,2-3,5-6H2
InChIKeyAOYVGPDARAITDB-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 103752412
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 103754729
(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
CID 103755510
3-azabicyclo[3.3.1]nonan-3-yl-(2-bromo-4-pyridinyl)methanone
CID 114196387
(2-bromo-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103754389
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-bromo-4-pyridinyl)methanone
CID 113255655

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone (CID 103752322) is (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccnc(Br)c1)N1CCC(O)CC1.
What is the InChIKey of (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is AOYVGPDARAITDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-7-8(1-4-13-10)11(16)14-5-2-9(15)3-6-14/h1,4,7,9,15H,2-3,5-6H2.
What are the key properties of (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 285.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 103752322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).