6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline

C13H11Br3N2 — CID 118731126

IUPAC6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline
SMILESBrc1ccc2ncccc2c1N1C[C@@H](Br)[C@H](Br)C1
InChIInChI=1S/C13H11Br3N2/c14-9-3-4-12-8(2-1-5-17-12)13(9)18-6-10(15)11(16)7-18/h1-5,10-11H,6-7H2/t10-,11-/m1/s1
InChIKeyKKJBVPXENGIDIN-GHMZBOCLSA-N
MW434.96 g/mol
LogP4.34
Rot. Bonds1

About 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline

6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline (PubChem CID 118731126) has the molecular formula C13H11Br3N2 and a molecular weight of 434.96 g/mol. Its IUPAC name is 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline
PubChem CID118731126
Molecular FormulaC13H11Br3N2
Molecular Weight434.96 g/mol
Exact Mass431.85
IUPAC Name6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline
SMILESBrc1ccc2ncccc2c1N1C[C@@H](Br)[C@H](Br)C1
InChIInChI=1S/C13H11Br3N2/c14-9-3-4-12-8(2-1-5-17-12)13(9)18-6-10(15)11(16)7-18/h1-5,10-11H,6-7H2/t10-,11-/m1/s1
InChIKeyKKJBVPXENGIDIN-GHMZBOCLSA-N
XLogP4.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.96
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline with MolForge

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Related Compounds

6-bromoquinoline-5-thiol
CID 136981755
5-bromoquinoline;ethane
CID 142484600
3-bromo-2-(4-bromo-3,3-dimethylpyrrolidin-1-yl)pyridine
CID 131052543
5-bromoquinoline-6-carbonitrile
CID 175111450
6-(3,5-dimethylpiperidin-1-yl)quinolin-5-amine
CID 43809501
5-bromo-1-(3-bromo-4-methylpiperidin-1-yl)isoquinoline
CID 106543296
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine
CID 66393066
5-bromo-6H-pyrrolo[3,4-b]pyridine
CID 67061254
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
5-(4-bromopiperidin-1-yl)sulfonylquinoline
CID 104774213
5-pyrrolidin-1-ylquinoline
CID 118731129

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline?
The IUPAC name of 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline (CID 118731126) is 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline.
What is the SMILES notation for 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline?
The canonical SMILES for 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline is Brc1ccc2ncccc2c1N1C[C@@H](Br)[C@H](Br)C1.
What is the InChIKey of 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline?
The InChIKey is KKJBVPXENGIDIN-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H11Br3N2/c14-9-3-4-12-8(2-1-5-17-12)13(9)18-6-10(15)11(16)7-18/h1-5,10-11H,6-7H2/t10-,11-/m1/s1.
What are the key properties of 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline?
6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline has a molecular weight of 434.96 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline is sourced from PubChem (CID 118731126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).