3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine

C9H11BrN2 — CID 99905887

IUPAC3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine
SMILESBrc1cnccc1[C@@H]1CCNC1
InChIInChI=1S/C9H11BrN2/c10-9-6-12-4-2-8(9)7-1-3-11-5-7/h2,4,6-7,11H,1,3,5H2/t7-/m1/s1
InChIKeySJBCABNPLQVOGG-SSDOTTSWSA-N
MW227.10 g/mol
LogP1.92
Rot. Bonds1

About 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine

3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine (PubChem CID 99905887) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine
PubChem CID99905887
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine
SMILESBrc1cnccc1[C@@H]1CCNC1
InChIInChI=1S/C9H11BrN2/c10-9-6-12-4-2-8(9)7-1-3-11-5-7/h2,4,6-7,11H,1,3,5H2/t7-/m1/s1
InChIKeySJBCABNPLQVOGG-SSDOTTSWSA-N
XLogP1.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyrrolidin-3-ylpyridine-3-carbonitrile
CID 115014147
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
5-pyrrolidin-3-ylisoquinoline
CID 82607299
3-chloro-4-piperidin-3-ylpyridine
CID 82399188
3-pyrrolidin-3-ylpyridine
CID 3613651
3-methyl-4-piperidin-4-ylpyridine
CID 64985067
3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine
CID 84702437
CID 156632351
CID 156632351
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine?
The IUPAC name of 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine (CID 99905887) is 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine?
The canonical SMILES for 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine is Brc1cnccc1[C@@H]1CCNC1.
What is the InChIKey of 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine?
The InChIKey is SJBCABNPLQVOGG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-9-6-12-4-2-8(9)7-1-3-11-5-7/h2,4,6-7,11H,1,3,5H2/t7-/m1/s1.
What are the key properties of 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine?
3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine has a molecular weight of 227.10 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3S)-pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 99905887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).