(3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid

C10H10F2N2O3 — CID 129188674

IUPAC(3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid
SMILESO=C(O)N1OCC[C@H]1c1ccc(C(F)F)nc1
InChIInChI=1S/C10H10F2N2O3/c11-9(12)7-2-1-6(5-13-7)8-3-4-17-14(8)10(15)16/h1-2,5,8-9H,3-4H2,(H,15,16)/t8-/m0/s1
InChIKeyDHHLKZLGXHYDBL-QMMMGPOBSA-N
MW244.20 g/mol
LogP2.38
Rot. Bonds2

About (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid

(3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid (PubChem CID 129188674) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid
PubChem CID129188674
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name(3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid
SMILESO=C(O)N1OCC[C@H]1c1ccc(C(F)F)nc1
InChIInChI=1S/C10H10F2N2O3/c11-9(12)7-2-1-6(5-13-7)8-3-4-17-14(8)10(15)16/h1-2,5,8-9H,3-4H2,(H,15,16)/t8-/m0/s1
InChIKeyDHHLKZLGXHYDBL-QMMMGPOBSA-N
XLogP2.38
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid?
The IUPAC name of (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid (CID 129188674) is (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid.
What is the SMILES notation for (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid?
The canonical SMILES for (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid is O=C(O)N1OCC[C@H]1c1ccc(C(F)F)nc1.
What is the InChIKey of (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid?
The InChIKey is DHHLKZLGXHYDBL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-9(12)7-2-1-6(5-13-7)8-3-4-17-14(8)10(15)16/h1-2,5,8-9H,3-4H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid?
(3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid has a molecular weight of 244.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[6-(difluoromethyl)-3-pyridinyl]-1,2-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 129188674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).