5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine

C12H17BrN2O — CID 115642522

IUPAC5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCOCC1CCN(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C12H17BrN2O/c1-16-9-10-4-5-15(7-10)8-12-3-2-11(13)6-14-12/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyIOWCOYNLRTUPCA-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.31
Rot. Bonds4

About 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine

5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 115642522) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID115642522
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCOCC1CCN(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C12H17BrN2O/c1-16-9-10-4-5-15(7-10)8-12-3-2-11(13)6-14-12/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyIOWCOYNLRTUPCA-UHFFFAOYSA-N
XLogP2.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine 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

[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
CID 115622436
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104798203
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 81319065
5-[[4-(methoxymethyl)piperidin-1-yl]methyl]pyrazin-2-amine
CID 103056498
5-bromo-2-(bromomethyl)pyridine;1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 158558565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine (CID 115642522) is 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine is COCC1CCN(Cc2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is IOWCOYNLRTUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-16-9-10-4-5-15(7-10)8-12-3-2-11(13)6-14-12/h2-3,6,10H,4-5,7-9H2,1H3.
What are the key properties of 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 285.18 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 115642522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).