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

C12H16BrClN2 — CID 63390154

IUPAC5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine
SMILESClCCCC1CCCN1c1ccc(Br)cn1
InChIInChI=1S/C12H16BrClN2/c13-10-5-6-12(15-9-10)16-8-2-4-11(16)3-1-7-14/h5-6,9,11H,1-4,7-8H2
InChIKeyZUMKLYNVWKOSNC-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.83
Rot. Bonds4

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

5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine (PubChem CID 63390154) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine
PubChem CID63390154
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine
SMILESClCCCC1CCCN1c1ccc(Br)cn1
InChIInChI=1S/C12H16BrClN2/c13-10-5-6-12(15-9-10)16-8-2-4-11(16)3-1-7-14/h5-6,9,11H,1-4,7-8H2
InChIKeyZUMKLYNVWKOSNC-UHFFFAOYSA-N
XLogP3.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.83
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

[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
CID 116640188
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
CID 79718453
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine
CID 80679888
2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline
CID 63390155
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
2-[2-(2-chloroethyl)piperidin-1-yl]-5-fluoropyridine
CID 63391998
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222
5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
CID 130534027
4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
4-[2-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 63391999
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63390254
tert-butyl N-[[1-(5-bromo-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 71632208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine (CID 63390154) is 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine is ClCCCC1CCCN1c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine?
The InChIKey is ZUMKLYNVWKOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c13-10-5-6-12(15-9-10)16-8-2-4-11(16)3-1-7-14/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine?
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine has a molecular weight of 303.63 g/mol, XLogP of 3.83, 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]pyridine is sourced from PubChem (CID 63390154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).