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

C13H18BrClN2 — CID 79718453

IUPAC5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
SMILESCc1cc(Br)cnc1N1CCCC1CCCCl
InChIInChI=1S/C13H18BrClN2/c1-10-8-11(14)9-16-13(10)17-7-3-5-12(17)4-2-6-15/h8-9,12H,2-7H2,1H3
InChIKeyCZLRYCVCLORROL-UHFFFAOYSA-N
MW317.66 g/mol
LogP4.14
Rot. Bonds4

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

5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine (PubChem CID 79718453) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
PubChem CID79718453
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
SMILESCc1cc(Br)cnc1N1CCCC1CCCCl
InChIInChI=1S/C13H18BrClN2/c1-10-8-11(14)9-16-13(10)17-7-3-5-12(17)4-2-6-15/h8-9,12H,2-7H2,1H3
InChIKeyCZLRYCVCLORROL-UHFFFAOYSA-N
XLogP4.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 79718017
5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine
CID 80676805
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine
CID 63390154
5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine
CID 112697443
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine
CID 106797220
2-(chloromethyl)-1-(3,5-dibromo-2-pyridinyl)azepane
CID 116638871
3-[1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 62477248
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248
5-bromo-2-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052128
ethyl 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79718437
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine?
The IUPAC name of 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine (CID 79718453) is 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine.
What is the SMILES notation for 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine?
The canonical SMILES for 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine is Cc1cc(Br)cnc1N1CCCC1CCCCl.
What is the InChIKey of 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine?
The InChIKey is CZLRYCVCLORROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-10-8-11(14)9-16-13(10)17-7-3-5-12(17)4-2-6-15/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine?
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine has a molecular weight of 317.66 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine is sourced from PubChem (CID 79718453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).