[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol

C10H13BrN2O — CID 94407883

IUPAC[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C10H13BrN2O/c11-9-1-2-10(12-5-9)13-4-3-8(6-13)7-14/h1-2,5,8,14H,3-4,6-7H2/t8-/m0/s1
InChIKeyFTICNROSVNGHFJ-QMMMGPOBSA-N
MW257.13 g/mol
LogP1.66
Rot. Bonds2

About [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol

[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol (PubChem CID 94407883) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
PubChem CID94407883
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C10H13BrN2O/c11-9-1-2-10(12-5-9)13-4-3-8(6-13)7-14/h1-2,5,8,14H,3-4,6-7H2/t8-/m0/s1
InChIKeyFTICNROSVNGHFJ-QMMMGPOBSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
CID 66674145
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
[1-(5-amino-2-pyridinyl)piperidin-4-yl]methanol
CID 43133155
3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79098403
[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
CID 114961588
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
4-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]-3,3-dimethylbutanoic acid
CID 175555302
[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
CID 64863673

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol (CID 94407883) is [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol is OC[C@H]1CCN(c2ccc(Br)cn2)C1.
What is the InChIKey of [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol?
The InChIKey is FTICNROSVNGHFJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-9-1-2-10(12-5-9)13-4-3-8(6-13)7-14/h1-2,5,8,14H,3-4,6-7H2/t8-/m0/s1.
What are the key properties of [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol?
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol has a molecular weight of 257.13 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 94407883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).