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

C15H13ClF4N4 — CID 141441810

IUPAC5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESFC1CCN(Cc2cc(Cl)nc(-c3cnc(C(F)(F)F)nc3)c2)C1
InChIInChI=1S/C15H13ClF4N4/c16-13-4-9(7-24-2-1-11(17)8-24)3-12(23-13)10-5-21-14(22-6-10)15(18,19)20/h3-6,11H,1-2,7-8H2
InChIKeyGOEIWPXNCBULEW-UHFFFAOYSA-N
MW360.74 g/mol
LogP3.75
Rot. Bonds3

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

5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 141441810) has the molecular formula C15H13ClF4N4 and a molecular weight of 360.74 g/mol. Its IUPAC name is 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine
PubChem CID141441810
Molecular FormulaC15H13ClF4N4
Molecular Weight360.74 g/mol
Exact Mass360.08
IUPAC Name5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESFC1CCN(Cc2cc(Cl)nc(-c3cnc(C(F)(F)F)nc3)c2)C1
InChIInChI=1S/C15H13ClF4N4/c16-13-4-9(7-24-2-1-11(17)8-24)3-12(23-13)10-5-21-14(22-6-10)15(18,19)20/h3-6,11H,1-2,7-8H2
InChIKeyGOEIWPXNCBULEW-UHFFFAOYSA-N
XLogP3.75
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine (CID 141441810) is 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine is FC1CCN(Cc2cc(Cl)nc(-c3cnc(C(F)(F)F)nc3)c2)C1.
What is the InChIKey of 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is GOEIWPXNCBULEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF4N4/c16-13-4-9(7-24-2-1-11(17)8-24)3-12(23-13)10-5-21-14(22-6-10)15(18,19)20/h3-6,11H,1-2,7-8H2.
What are the key properties of 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine?
5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 360.74 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 141441810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).