5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine

C13H15FN4 — CID 100759471

IUPAC5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine
SMILESFc1ccc(N2CCC(c3ccn[nH]3)CC2)nc1
InChIInChI=1S/C13H15FN4/c14-11-1-2-13(15-9-11)18-7-4-10(5-8-18)12-3-6-16-17-12/h1-3,6,9-10H,4-5,7-8H2,(H,16,17)
InChIKeyRJWPTFVCDBKZBS-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.33
Rot. Bonds2

About 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine

5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine (PubChem CID 100759471) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine
PubChem CID100759471
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine
SMILESFc1ccc(N2CCC(c3ccn[nH]3)CC2)nc1
InChIInChI=1S/C13H15FN4/c14-11-1-2-13(15-9-11)18-7-4-10(5-8-18)12-3-6-16-17-12/h1-3,6,9-10H,4-5,7-8H2,(H,16,17)
InChIKeyRJWPTFVCDBKZBS-UHFFFAOYSA-N
XLogP2.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine?
The IUPAC name of 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine (CID 100759471) is 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine is Fc1ccc(N2CCC(c3ccn[nH]3)CC2)nc1.
What is the InChIKey of 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine?
The InChIKey is RJWPTFVCDBKZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-11-1-2-13(15-9-11)18-7-4-10(5-8-18)12-3-6-16-17-12/h1-3,6,9-10H,4-5,7-8H2,(H,16,17).
What are the key properties of 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine?
5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine has a molecular weight of 246.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 100759471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).