(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone

C10H11BrN2O2 — CID 130522554

IUPAC(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cccc(Br)n1)N1CCCOC1
InChIInChI=1S/C10H11BrN2O2/c11-9-4-1-3-8(12-9)10(14)13-5-2-6-15-7-13/h1,3-4H,2,5-7H2
InChIKeyDERFTRYWVHCHQY-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.66
Rot. Bonds1

About (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone

(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone (PubChem CID 130522554) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone
PubChem CID130522554
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cccc(Br)n1)N1CCCOC1
InChIInChI=1S/C10H11BrN2O2/c11-9-4-1-3-8(12-9)10(14)13-5-2-6-15-7-13/h1,3-4H,2,5-7H2
InChIKeyDERFTRYWVHCHQY-UHFFFAOYSA-N
XLogP1.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 114037544
(6-bromo-2-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103917023
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 103916743
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404
1,3-oxazinan-3-yl(pyridin-4-yl)methanone
CID 110739628
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343
1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
CID 113351440
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
(6-bromo-2-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 103916899
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821
tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone (CID 130522554) is (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone is O=C(c1cccc(Br)n1)N1CCCOC1.
What is the InChIKey of (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone?
The InChIKey is DERFTRYWVHCHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-9-4-1-3-8(12-9)10(14)13-5-2-6-15-7-13/h1,3-4H,2,5-7H2.
What are the key properties of (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone?
(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone has a molecular weight of 271.11 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 130522554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).