(2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone

C10H11BrN2O2 — CID 130162420

IUPAC(2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccnc(Br)c2)C1
InChIInChI=1S/C10H11BrN2O2/c1-15-8-5-13(6-8)10(14)7-2-3-12-9(11)4-7/h2-4,8H,5-6H2,1H3
InChIKeyOYMCHPTUOBXWFD-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.31
Rot. Bonds2

About (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone

(2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone (PubChem CID 130162420) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone
PubChem CID130162420
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccnc(Br)c2)C1
InChIInChI=1S/C10H11BrN2O2/c1-15-8-5-13(6-8)10(14)7-2-3-12-9(11)4-7/h2-4,8H,5-6H2,1H3
InChIKeyOYMCHPTUOBXWFD-UHFFFAOYSA-N
XLogP1.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-azabicyclo[3.3.1]nonan-3-yl-(2-bromo-4-pyridinyl)methanone
CID 114196387
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
(2-bromo-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755682
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
methyl 4-(3-methoxyazetidine-1-carbonyl)benzoate
CID 91755368
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-bromo-4-pyridinyl)methanone
CID 113255655
4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 103755533
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 103754729

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone (CID 130162420) is (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone is COC1CN(C(=O)c2ccnc(Br)c2)C1.
What is the InChIKey of (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is OYMCHPTUOBXWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-15-8-5-13(6-8)10(14)7-2-3-12-9(11)4-7/h2-4,8H,5-6H2,1H3.
What are the key properties of (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone?
(2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone has a molecular weight of 271.11 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 130162420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).