3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine

C10H13BrN2 — CID 84702437

IUPAC3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine
SMILESCc1cncc(Br)c1C1CCNC1
InChIInChI=1S/C10H13BrN2/c1-7-4-13-6-9(11)10(7)8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3
InChIKeyMIEXYUOWKGTFPB-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.23
Rot. Bonds1

About 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine

3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine (PubChem CID 84702437) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine
PubChem CID84702437
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine
SMILESCc1cncc(Br)c1C1CCNC1
InChIInChI=1S/C10H13BrN2/c1-7-4-13-6-9(11)10(7)8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3
InChIKeyMIEXYUOWKGTFPB-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine 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-methyl-4-piperidin-3-ylpyridine
CID 84708530
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine
CID 99905887
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-methyl-5-[(3S)-pyrrolidin-3-yl]pyridine
CID 96736316
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
5-pyrrolidin-3-ylpyrimidine
CID 66996535
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
8-bromo-3-pyrrolidin-3-ylimidazo[1,2-c]pyrimidine
CID 84711822
3-methyl-2-pyrrolidin-3-ylbenzaldehyde
CID 87618277

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine?
The IUPAC name of 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine (CID 84702437) is 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine.
What is the SMILES notation for 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine?
The canonical SMILES for 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine is Cc1cncc(Br)c1C1CCNC1.
What is the InChIKey of 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine?
The InChIKey is MIEXYUOWKGTFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-7-4-13-6-9(11)10(7)8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3.
What are the key properties of 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine?
3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine has a molecular weight of 241.13 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine is sourced from PubChem (CID 84702437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).