(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone

C11H13BrN2O2 — CID 66462671

IUPAC(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)nc1)N1CCC(O)CC1
InChIInChI=1S/C11H13BrN2O2/c12-10-2-1-8(7-13-10)11(16)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2
InChIKeyHJLJASCIMRJHIP-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds1

About (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone

(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 66462671) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID66462671
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)nc1)N1CCC(O)CC1
InChIInChI=1S/C11H13BrN2O2/c12-10-2-1-8(7-13-10)11(16)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2
InChIKeyHJLJASCIMRJHIP-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

(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
(6-bromo-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66462579
5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(6-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 66464344
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
(6-bromo-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 66464052
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone (CID 66462671) is (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(Br)nc1)N1CCC(O)CC1.
What is the InChIKey of (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is HJLJASCIMRJHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-2-1-8(7-13-10)11(16)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2.
What are the key properties of (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
(6-bromo-3-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 (6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 66462671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).