(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol

C10H13BrN2O — CID 130576098

IUPAC(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2ncccc2Br)C1
InChIInChI=1S/C10H13BrN2O/c11-9-2-1-4-12-10(9)7-13-5-3-8(14)6-13/h1-2,4,8,14H,3,5-7H2/t8-/m1/s1
InChIKeyFCLJEKUXFLKKNA-MRVPVSSYSA-N
MW257.13 g/mol
LogP1.41
Rot. Bonds2

About (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol

(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol (PubChem CID 130576098) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
PubChem CID130576098
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2ncccc2Br)C1
InChIInChI=1S/C10H13BrN2O/c11-9-2-1-4-12-10(9)7-13-5-3-8(14)6-13/h1-2,4,8,14H,3,5-7H2/t8-/m1/s1
InChIKeyFCLJEKUXFLKKNA-MRVPVSSYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine
CID 130757500
3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine
CID 130576197
1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130979733
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62943758
(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111462016
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
CID 62888575
(3R)-1-[[8-[(3-bromo-2-methylphenyl)methyl]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 157120448
3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83919940
1-[[2-(3-bromo-2-chloroanilino)-4-pyridinyl]methyl]pyrrolidin-3-ol
CID 175067573

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol (CID 130576098) is (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol is O[C@@H]1CCN(Cc2ncccc2Br)C1.
What is the InChIKey of (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol?
The InChIKey is FCLJEKUXFLKKNA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-9-2-1-4-12-10(9)7-13-5-3-8(14)6-13/h1-2,4,8,14H,3,5-7H2/t8-/m1/s1.
What are the key properties of (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol has a molecular weight of 257.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 130576098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).