2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine

C12H16ClFN2 — CID 129075345

IUPAC2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine
SMILESCC(C)N1CCCC1c1cc(F)cnc1Cl
InChIInChI=1S/C12H16ClFN2/c1-8(2)16-5-3-4-11(16)10-6-9(14)7-15-12(10)13/h6-8,11H,3-5H2,1-2H3
InChIKeyJNZWHLVPQLEUBS-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine

2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine (PubChem CID 129075345) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine
PubChem CID129075345
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine
SMILESCC(C)N1CCCC1c1cc(F)cnc1Cl
InChIInChI=1S/C12H16ClFN2/c1-8(2)16-5-3-4-11(16)10-6-9(14)7-15-12(10)13/h6-8,11H,3-5H2,1-2H3
InChIKeyJNZWHLVPQLEUBS-UHFFFAOYSA-N
XLogP3.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine?
The IUPAC name of 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine (CID 129075345) is 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine is CC(C)N1CCCC1c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine?
The InChIKey is JNZWHLVPQLEUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-8(2)16-5-3-4-11(16)10-6-9(14)7-15-12(10)13/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine?
2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine has a molecular weight of 242.72 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 129075345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).