2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine

C11H12F4N2 — CID 23366799

IUPAC2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C11H12F4N2/c1-6-2-4-17(5-3-6)9-7(12)10(14)16-11(15)8(9)13/h6H,2-5H2,1H3
InChIKeyNXTPNIXMECRXRU-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.87
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine

2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine (PubChem CID 23366799) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine
PubChem CID23366799
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C11H12F4N2/c1-6-2-4-17(5-3-6)9-7(12)10(14)16-11(15)8(9)13/h6H,2-5H2,1H3
InChIKeyNXTPNIXMECRXRU-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.87
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 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine (CID 23366799) is 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine is CC1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine?
The InChIKey is NXTPNIXMECRXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c1-6-2-4-17(5-3-6)9-7(12)10(14)16-11(15)8(9)13/h6H,2-5H2,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine?
2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine has a molecular weight of 248.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 23366799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).