(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid

C10H11FN2O3 — CID 129188798

IUPAC(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
SMILESCc1ncc([C@@H]2CCON2C(=O)O)cc1F
InChIInChI=1S/C10H11FN2O3/c1-6-8(11)4-7(5-12-6)9-2-3-16-13(9)10(14)15/h4-5,9H,2-3H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyUTLKFVCLSHFPDV-VIFPVBQESA-N
MW226.21 g/mol
LogP1.89
Rot. Bonds1

About (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid

(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid (PubChem CID 129188798) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
PubChem CID129188798
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
SMILESCc1ncc([C@@H]2CCON2C(=O)O)cc1F
InChIInChI=1S/C10H11FN2O3/c1-6-8(11)4-7(5-12-6)9-2-3-16-13(9)10(14)15/h4-5,9H,2-3H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyUTLKFVCLSHFPDV-VIFPVBQESA-N
XLogP1.89
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The IUPAC name of (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid (CID 129188798) is (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid.
What is the SMILES notation for (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The canonical SMILES for (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid is Cc1ncc([C@@H]2CCON2C(=O)O)cc1F.
What is the InChIKey of (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The InChIKey is UTLKFVCLSHFPDV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6-8(11)4-7(5-12-6)9-2-3-16-13(9)10(14)15/h4-5,9H,2-3H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid has a molecular weight of 226.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 129188798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).