5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine

C13H18ClFN2 — CID 58431434

IUPAC5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
SMILESCC(C)C1CCN(c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C13H18ClFN2/c1-9(2)10-3-5-17(6-4-10)13-12(15)7-11(14)8-16-13/h7-10H,3-6H2,1-2H3
InChIKeyAJHIFYPTRYEVCD-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.75
Rot. Bonds2

About 5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine

5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine (PubChem CID 58431434) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
PubChem CID58431434
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
SMILESCC(C)C1CCN(c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C13H18ClFN2/c1-9(2)10-3-5-17(6-4-10)13-12(15)7-11(14)8-16-13/h7-10H,3-6H2,1-2H3
InChIKeyAJHIFYPTRYEVCD-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.75
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-(4-propan-2-ylpiperidin-1-yl)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine (CID 58431434) is 5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine is CC(C)C1CCN(c2ncc(Cl)cc2F)CC1.
What is the InChIKey of 5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine?
The InChIKey is AJHIFYPTRYEVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9(2)10-3-5-17(6-4-10)13-12(15)7-11(14)8-16-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine?
5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine has a molecular weight of 256.75 g/mol, XLogP of 3.75, 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-(4-propan-2-ylpiperidin-1-yl)pyridine is sourced from PubChem (CID 58431434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).