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

C12H16ClFN2 — CID 79727902

IUPAC5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine
SMILESCC(C)C1CCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C12H16ClFN2/c1-8(2)11-4-3-5-16(11)12-10(14)6-9(13)7-15-12/h6-8,11H,3-5H2,1-2H3
InChIKeyFOPNRLZYNXDOKN-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.50
Rot. Bonds2

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

5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine (PubChem CID 79727902) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine
PubChem CID79727902
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine
SMILESCC(C)C1CCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C12H16ClFN2/c1-8(2)11-4-3-5-16(11)12-10(14)6-9(13)7-15-12/h6-8,11H,3-5H2,1-2H3
InChIKeyFOPNRLZYNXDOKN-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine (CID 79727902) is 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine is CC(C)C1CCCN1c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine?
The InChIKey is FOPNRLZYNXDOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-8(2)11-4-3-5-16(11)12-10(14)6-9(13)7-15-12/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine?
5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine has a molecular weight of 242.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 79727902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).