4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid

C10H11ClF3N3O2 — CID 145433371

IUPAC4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid
SMILESFC(F)(F)c1nc(Cl)cc(N2CCCC2)n1.O=CO
InChIInChI=1S/C9H9ClF3N3.CH2O2/c10-6-5-7(16-3-1-2-4-16)15-8(14-6)9(11,12)13;2-1-3/h5H,1-4H2;1H,(H,2,3)
InChIKeyVGBKOCFEVAXELB-UHFFFAOYSA-N
MW297.66 g/mol
LogP2.45
Rot. Bonds1

About 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid

4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid (PubChem CID 145433371) has the molecular formula C10H11ClF3N3O2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid
PubChem CID145433371
Molecular FormulaC10H11ClF3N3O2
Molecular Weight297.66 g/mol
Exact Mass297.05
IUPAC Name4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid
SMILESFC(F)(F)c1nc(Cl)cc(N2CCCC2)n1.O=CO
InChIInChI=1S/C9H9ClF3N3.CH2O2/c10-6-5-7(16-3-1-2-4-16)15-8(14-6)9(11,12)13;2-1-3/h5H,1-4H2;1H,(H,2,3)
InChIKeyVGBKOCFEVAXELB-UHFFFAOYSA-N
XLogP2.45
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid?
The IUPAC name of 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid (CID 145433371) is 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid is FC(F)(F)c1nc(Cl)cc(N2CCCC2)n1.O=CO.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid?
The InChIKey is VGBKOCFEVAXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3.CH2O2/c10-6-5-7(16-3-1-2-4-16)15-8(14-6)9(11,12)13;2-1-3/h5H,1-4H2;1H,(H,2,3).
What are the key properties of 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid?
4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid has a molecular weight of 297.66 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid is sourced from PubChem (CID 145433371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).