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

C12H16BrClN2 — CID 105368810

IUPAC3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
SMILESCc1cnc(N2CCC(CCCl)C2)c(Br)c1
InChIInChI=1S/C12H16BrClN2/c1-9-6-11(13)12(15-7-9)16-5-3-10(8-16)2-4-14/h6-7,10H,2-5,8H2,1H3
InChIKeyOTOHLVJOMBMZOL-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.61
Rot. Bonds3

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

3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine (PubChem CID 105368810) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
PubChem CID105368810
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
SMILESCc1cnc(N2CCC(CCCl)C2)c(Br)c1
InChIInChI=1S/C12H16BrClN2/c1-9-6-11(13)12(15-7-9)16-5-3-10(8-16)2-4-14/h6-7,10H,2-5,8H2,1H3
InChIKeyOTOHLVJOMBMZOL-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-2-[3-(2-chloroethyl)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

3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine
CID 114838653
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 105367921
5-bromo-4-[3-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 66320965
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine?
The IUPAC name of 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine (CID 105368810) is 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine?
The canonical SMILES for 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine is Cc1cnc(N2CCC(CCCl)C2)c(Br)c1.
What is the InChIKey of 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine?
The InChIKey is OTOHLVJOMBMZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-9-6-11(13)12(15-7-9)16-5-3-10(8-16)2-4-14/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine?
3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine has a molecular weight of 303.63 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine is sourced from PubChem (CID 105368810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).