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

C9H9ClN2O3 — CID 129188804

IUPAC(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
SMILESO=C(O)N1OCC[C@H]1c1ccc(Cl)cn1
InChIInChI=1S/C9H9ClN2O3/c10-6-1-2-7(11-5-6)8-3-4-15-12(8)9(13)14/h1-2,5,8H,3-4H2,(H,13,14)/t8-/m0/s1
InChIKeyNVEHINTZHLQVDM-QMMMGPOBSA-N
MW228.63 g/mol
LogP2.09
Rot. Bonds1

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

(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid (PubChem CID 129188804) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
PubChem CID129188804
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
SMILESO=C(O)N1OCC[C@H]1c1ccc(Cl)cn1
InChIInChI=1S/C9H9ClN2O3/c10-6-1-2-7(11-5-6)8-3-4-15-12(8)9(13)14/h1-2,5,8H,3-4H2,(H,13,14)/t8-/m0/s1
InChIKeyNVEHINTZHLQVDM-QMMMGPOBSA-N
XLogP2.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The IUPAC name of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid (CID 129188804) is (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid.
What is the SMILES notation for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The canonical SMILES for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid is O=C(O)N1OCC[C@H]1c1ccc(Cl)cn1.
What is the InChIKey of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The InChIKey is NVEHINTZHLQVDM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-6-1-2-7(11-5-6)8-3-4-15-12(8)9(13)14/h1-2,5,8H,3-4H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid has a molecular weight of 228.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 129188804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).