2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine

C12H16BrFN2 — CID 80679888

IUPAC2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine
SMILESFc1ccc(N2CCCC2CCCBr)nc1
InChIInChI=1S/C12H16BrFN2/c13-7-1-3-11-4-2-8-16(11)12-6-5-10(14)9-15-12/h5-6,9,11H,1-4,7-8H2
InChIKeyNZXGPYSPCUEWMG-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.36
Rot. Bonds4

About 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine

2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine (PubChem CID 80679888) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine
PubChem CID80679888
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine
SMILESFc1ccc(N2CCCC2CCCBr)nc1
InChIInChI=1S/C12H16BrFN2/c13-7-1-3-11-4-2-8-16(11)12-6-5-10(14)9-15-12/h5-6,9,11H,1-4,7-8H2
InChIKeyNZXGPYSPCUEWMG-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine?
The IUPAC name of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine (CID 80679888) is 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine?
The canonical SMILES for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine is Fc1ccc(N2CCCC2CCCBr)nc1.
What is the InChIKey of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine?
The InChIKey is NZXGPYSPCUEWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-7-1-3-11-4-2-8-16(11)12-6-5-10(14)9-15-12/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine?
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine has a molecular weight of 287.18 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine is sourced from PubChem (CID 80679888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).