[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol

C11H15BrN2O — CID 97169730

IUPAC[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(Cc2ccnc(Br)c2)C1
InChIInChI=1S/C11H15BrN2O/c12-11-5-9(1-3-13-11)6-14-4-2-10(7-14)8-15/h1,3,5,10,15H,2,4,6-8H2/t10-/m1/s1
InChIKeyFDVHBQHBCYJKKU-SNVBAGLBSA-N
MW271.16 g/mol
LogP1.66
Rot. Bonds3

About [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol

[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 97169730) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID97169730
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(Cc2ccnc(Br)c2)C1
InChIInChI=1S/C11H15BrN2O/c12-11-5-9(1-3-13-11)6-14-4-2-10(7-14)8-15/h1,3,5,10,15H,2,4,6-8H2/t10-/m1/s1
InChIKeyFDVHBQHBCYJKKU-SNVBAGLBSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.66
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

1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71644404
[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 71650079
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648053
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[(3S)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 97169637
[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 92581382
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol (CID 97169730) is [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol is OC[C@@H]1CCN(Cc2ccnc(Br)c2)C1.
What is the InChIKey of [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is FDVHBQHBCYJKKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-11-5-9(1-3-13-11)6-14-4-2-10(7-14)8-15/h1,3,5,10,15H,2,4,6-8H2/t10-/m1/s1.
What are the key properties of [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 271.16 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 97169730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).