2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine

C15H14ClF3N4O — CID 167472001

IUPAC2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(N2CCC(Oc3ccc(Cl)nc3)CC2)nc1
InChIInChI=1S/C15H14ClF3N4O/c16-13-2-1-12(9-20-13)24-11-3-5-23(6-4-11)14-21-7-10(8-22-14)15(17,18)19/h1-2,7-9,11H,3-6H2
InChIKeyJBHNTRDPQVFRRR-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.59
Rot. Bonds3

About 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine

2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine (PubChem CID 167472001) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
PubChem CID167472001
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC Name2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(N2CCC(Oc3ccc(Cl)nc3)CC2)nc1
InChIInChI=1S/C15H14ClF3N4O/c16-13-2-1-12(9-20-13)24-11-3-5-23(6-4-11)14-21-7-10(8-22-14)15(17,18)19/h1-2,7-9,11H,3-6H2
InChIKeyJBHNTRDPQVFRRR-UHFFFAOYSA-N
XLogP3.59
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine (CID 167472001) is 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(N2CCC(Oc3ccc(Cl)nc3)CC2)nc1.
What is the InChIKey of 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine?
The InChIKey is JBHNTRDPQVFRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c16-13-2-1-12(9-20-13)24-11-3-5-23(6-4-11)14-21-7-10(8-22-14)15(17,18)19/h1-2,7-9,11H,3-6H2.
What are the key properties of 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine?
2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine has a molecular weight of 358.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167472001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).