[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol

C11H15BrN2O — CID 71650079

IUPAC[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2ccc(Br)nc2)C1
InChIInChI=1S/C11H15BrN2O/c12-11-2-1-9(5-13-11)6-14-4-3-10(7-14)8-15/h1-2,5,10,15H,3-4,6-8H2
InChIKeyWOGVNFVYMQSNDE-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.66
Rot. Bonds3

About [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol

[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 71650079) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID71650079
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2ccc(Br)nc2)C1
InChIInChI=1S/C11H15BrN2O/c12-11-2-1-9(5-13-11)6-14-4-3-10(7-14)8-15/h1-2,5,10,15H,3-4,6-8H2
InChIKeyWOGVNFVYMQSNDE-UHFFFAOYSA-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

[(3S)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 97169637
[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 97169730
[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 97165519
1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 71644395
[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 92581382
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
[1-[(6-amino-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 62176467
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
3-[(6-bromo-3-pyridinyl)methyl]-7-methyl-3,7-diazabicyclo[3.3.1]nonane
CID 178121914
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813

Frequently Asked Questions

What is the IUPAC name of [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol (CID 71650079) is [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2ccc(Br)nc2)C1.
What is the InChIKey of [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is WOGVNFVYMQSNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-11-2-1-9(5-13-11)6-14-4-3-10(7-14)8-15/h1-2,5,10,15H,3-4,6-8H2.
What are the key properties of [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(6-bromo-3-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 [1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 71650079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).