1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol

C11H15BrN2O — CID 130770082

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2cncc(Br)c2)CC1O
InChIInChI=1S/C11H15BrN2O/c1-8-5-14(7-11(8)15)6-9-2-10(12)4-13-3-9/h2-4,8,11,15H,5-7H2,1H3
InChIKeyZDEXUVZSQGTQTJ-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.66
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol

1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol (PubChem CID 130770082) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
PubChem CID130770082
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2cncc(Br)c2)CC1O
InChIInChI=1S/C11H15BrN2O/c1-8-5-14(7-11(8)15)6-9-2-10(12)4-13-3-9/h2-4,8,11,15H,5-7H2,1H3
InChIKeyZDEXUVZSQGTQTJ-UHFFFAOYSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

3-bromo-5-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682308
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171993882
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
3-bromo-5-[(2,6-dimethylpiperidin-1-yl)methyl]pyridine
CID 115618842
1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 130770047
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180
[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681315
6-benzyl-3-[(5-bromo-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 172906024
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol (CID 130770082) is 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol is CC1CN(Cc2cncc(Br)c2)CC1O.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol?
The InChIKey is ZDEXUVZSQGTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-5-14(7-11(8)15)6-9-2-10(12)4-13-3-9/h2-4,8,11,15H,5-7H2,1H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol?
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol has a molecular weight of 271.16 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 1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 130770082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).