2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine

C11H15BrN2 — CID 80679968

IUPAC2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
SMILESCc1ccc(N2CCC(CBr)C2)nc1
InChIInChI=1S/C11H15BrN2/c1-9-2-3-11(13-7-9)14-5-4-10(6-12)8-14/h2-3,7,10H,4-6,8H2,1H3
InChIKeyQSYGRXQHOPWOIH-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.61
Rot. Bonds2

About 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine

2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine (PubChem CID 80679968) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
PubChem CID80679968
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
SMILESCc1ccc(N2CCC(CBr)C2)nc1
InChIInChI=1S/C11H15BrN2/c1-9-2-3-11(13-7-9)14-5-4-10(6-12)8-14/h2-3,7,10H,4-6,8H2,1H3
InChIKeyQSYGRXQHOPWOIH-UHFFFAOYSA-N
XLogP2.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine 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

2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
CID 63392190
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80672753
3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314677
2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593015
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592660
5-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 171429390
5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine
CID 171070051
2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80668710

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine?
The IUPAC name of 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine (CID 80679968) is 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine.
What is the SMILES notation for 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine?
The canonical SMILES for 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine is Cc1ccc(N2CCC(CBr)C2)nc1.
What is the InChIKey of 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine?
The InChIKey is QSYGRXQHOPWOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-9-2-3-11(13-7-9)14-5-4-10(6-12)8-14/h2-3,7,10H,4-6,8H2,1H3.
What are the key properties of 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine?
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine has a molecular weight of 255.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine is sourced from PubChem (CID 80679968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).