(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C10H11BrN2O2 — CID 79041393

IUPAC(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)nc1)N1CC[C@H](O)C1
InChIInChI=1S/C10H11BrN2O2/c11-9-2-1-7(5-12-9)10(15)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1
InChIKeyGXZVMJQLRVUMFW-QMMMGPOBSA-N
MW271.11 g/mol
LogP1.05
Rot. Bonds1

About (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 79041393) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID79041393
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)nc1)N1CC[C@H](O)C1
InChIInChI=1S/C10H11BrN2O2/c11-9-2-1-7(5-12-9)10(15)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1
InChIKeyGXZVMJQLRVUMFW-QMMMGPOBSA-N
XLogP1.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(6-bromo-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66462579
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198667
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 79041393) is (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1ccc(Br)nc1)N1CC[C@H](O)C1.
What is the InChIKey of (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is GXZVMJQLRVUMFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-9-2-1-7(5-12-9)10(15)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1.
What are the key properties of (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 271.11 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 79041393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).