(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H13BrN2O2 — CID 79028277

IUPAC(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cn1)N1CCC[C@H]1CO
InChIInChI=1S/C11H13BrN2O2/c12-8-3-4-10(13-6-8)11(16)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1
InChIKeyZBZHCMQDQNBMIT-VIFPVBQESA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds2

About (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 79028277) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID79028277
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cn1)N1CCC[C@H]1CO
InChIInChI=1S/C11H13BrN2O2/c12-8-3-4-10(13-6-8)11(16)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1
InChIKeyZBZHCMQDQNBMIT-VIFPVBQESA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
N-[[1-(5-bromopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 62953728
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-bromo-2-pyridinyl)methanone
CID 65320580
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
(5-bromo-2-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62998965
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249
2-[1-(5-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547562
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 79028277) is (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Br)cn1)N1CCC[C@H]1CO.
What is the InChIKey of (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZBZHCMQDQNBMIT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-3-4-10(13-6-8)11(16)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 285.14 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 79028277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).