4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

C11H11ClF3N3O3 — CID 87945005

IUPAC4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H11ClF3N3O3/c12-7-5-8(17-9(16-7)11(13,14)15)21-6-1-3-18(4-2-6)10(19)20/h5-6H,1-4H2,(H,19,20)
InChIKeyDHRWVJYSOOKIIH-UHFFFAOYSA-N
MW325.67 g/mol
LogP2.67
Rot. Bonds2

About 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 87945005) has the molecular formula C11H11ClF3N3O3 and a molecular weight of 325.67 g/mol. Its IUPAC name is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID87945005
Molecular FormulaC11H11ClF3N3O3
Molecular Weight325.67 g/mol
Exact Mass325.04
IUPAC Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H11ClF3N3O3/c12-7-5-8(17-9(16-7)11(13,14)15)21-6-1-3-18(4-2-6)10(19)20/h5-6H,1-4H2,(H,19,20)
InChIKeyDHRWVJYSOOKIIH-UHFFFAOYSA-N
XLogP2.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.67
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 87945005) is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is DHRWVJYSOOKIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O3/c12-7-5-8(17-9(16-7)11(13,14)15)21-6-1-3-18(4-2-6)10(19)20/h5-6H,1-4H2,(H,19,20).
What are the key properties of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 325.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 87945005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).