(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid

C10H10ClF3N2O3 — CID 175877406

IUPAC(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
SMILESClc1ccc([C@@H]2CCON2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9ClN2O.C2HF3O2/c9-6-1-2-7(10-5-6)8-3-4-12-11-8;3-2(4,5)1(6)7/h1-2,5,8,11H,3-4H2;(H,6,7)/t8-;/m0./s1
InChIKeyVGPJXFCPPAJRPK-QRPNPIFTSA-N
MW298.65 g/mol
LogP2.33
Rot. Bonds1

About (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid

(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid (PubChem CID 175877406) has the molecular formula C10H10ClF3N2O3 and a molecular weight of 298.65 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
PubChem CID175877406
Molecular FormulaC10H10ClF3N2O3
Molecular Weight298.65 g/mol
Exact Mass298.03
IUPAC Name(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
SMILESClc1ccc([C@@H]2CCON2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9ClN2O.C2HF3O2/c9-6-1-2-7(10-5-6)8-3-4-12-11-8;3-2(4,5)1(6)7/h1-2,5,8,11H,3-4H2;(H,6,7)/t8-;/m0./s1
InChIKeyVGPJXFCPPAJRPK-QRPNPIFTSA-N
XLogP2.33
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid (CID 175877406) is (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid is Clc1ccc([C@@H]2CCON2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The InChIKey is VGPJXFCPPAJRPK-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H9ClN2O.C2HF3O2/c9-6-1-2-7(10-5-6)8-3-4-12-11-8;3-2(4,5)1(6)7/h1-2,5,8,11H,3-4H2;(H,6,7)/t8-;/m0./s1.
What are the key properties of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid has a molecular weight of 298.65 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175877406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).