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

C11H13BrN2O2 — CID 81443224

IUPAC[2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESO=C(c1ccncc1O)N1CCCC1CBr
InChIInChI=1S/C11H13BrN2O2/c12-6-8-2-1-5-14(8)11(16)9-3-4-13-7-10(9)15/h3-4,7-8,15H,1-2,5-6H2
InChIKeyQXRNLAZVGBYDLW-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.79
Rot. Bonds2

About [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

[2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 81443224) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID81443224
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name[2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESO=C(c1ccncc1O)N1CCCC1CBr
InChIInChI=1S/C11H13BrN2O2/c12-6-8-2-1-5-14(8)11(16)9-3-4-13-7-10(9)15/h3-4,7-8,15H,1-2,5-6H2
InChIKeyQXRNLAZVGBYDLW-UHFFFAOYSA-N
XLogP1.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443059
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
[2-(bromomethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 80678439
(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 81443348
1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carbothioamide
CID 81445580
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443535
2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 81445915
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 130531502
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894
[2-(bromomethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122459

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 81443224) is [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is O=C(c1ccncc1O)N1CCCC1CBr.
What is the InChIKey of [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is QXRNLAZVGBYDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-6-8-2-1-5-14(8)11(16)9-3-4-13-7-10(9)15/h3-4,7-8,15H,1-2,5-6H2.
What are the key properties of [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
[2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 285.14 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 81443224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).