1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol

C11H15BrN2O — CID 130979733

IUPAC1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2ncccc2Br)CC1O
InChIInChI=1S/C11H15BrN2O/c1-8-5-14(7-11(8)15)6-10-9(12)3-2-4-13-10/h2-4,8,11,15H,5-7H2,1H3
InChIKeyMLFFBVSTBSWTMC-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.66
Rot. Bonds2

About 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol

1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol (PubChem CID 130979733) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
PubChem CID130979733
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2ncccc2Br)CC1O
InChIInChI=1S/C11H15BrN2O/c1-8-5-14(7-11(8)15)6-10-9(12)3-2-4-13-10/h2-4,8,11,15H,5-7H2,1H3
InChIKeyMLFFBVSTBSWTMC-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

Analyze 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine
CID 130757500
3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine
CID 130576197
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
CID 130684002
1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one
CID 130598530
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol
CID 131185921
3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83919940
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210
(3aR,6aS)-5-[(3-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660794

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol (CID 130979733) is 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol is CC1CN(Cc2ncccc2Br)CC1O.
What is the InChIKey of 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol?
The InChIKey is MLFFBVSTBSWTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-5-14(7-11(8)15)6-10-9(12)3-2-4-13-10/h2-4,8,11,15H,5-7H2,1H3.
What are the key properties of 1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol?
1-[(3-bromo-2-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-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 130979733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).