[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

C10H11BrN2O2 — CID 130531502

IUPAC[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESO=C(c1ccncc1O)N1CC(CBr)C1
InChIInChI=1S/C10H11BrN2O2/c11-3-7-5-13(6-7)10(15)8-1-2-12-4-9(8)14/h1-2,4,7,14H,3,5-6H2
InChIKeyDRGUVHBXSQZLRF-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.25
Rot. Bonds2

About [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 130531502) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID130531502
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESO=C(c1ccncc1O)N1CC(CBr)C1
InChIInChI=1S/C10H11BrN2O2/c11-3-7-5-13(6-7)10(15)8-1-2-12-4-9(8)14/h1-2,4,7,14H,3,5-6H2
InChIKeyDRGUVHBXSQZLRF-UHFFFAOYSA-N
XLogP1.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)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

[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443645
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 103576007
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708
(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 80718021
[2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443224
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 130531502) is [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is O=C(c1ccncc1O)N1CC(CBr)C1.
What is the InChIKey of [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is DRGUVHBXSQZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-3-7-5-13(6-7)10(15)8-1-2-12-4-9(8)14/h1-2,4,7,14H,3,5-6H2.
What are the key properties of [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 271.11 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 130531502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).