(2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide

C13H14BrFN2O2 — CID 136588671

IUPAC(2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide
SMILESO=C(Nc1ncc(F)cc1Br)[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C13H14BrFN2O2/c14-10-5-8(15)6-16-12(10)17-13(18)9-3-4-19-11(9)7-1-2-7/h5-7,9,11H,1-4H2,(H,16,17,18)/t9-,11+/m1/s1
InChIKeyCIAGUFDGELNOKJ-KOLCDFICSA-N
MW329.17 g/mol
LogP2.74
Rot. Bonds3

About (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide

(2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide (PubChem CID 136588671) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide
PubChem CID136588671
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name(2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide
SMILESO=C(Nc1ncc(F)cc1Br)[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C13H14BrFN2O2/c14-10-5-8(15)6-16-12(10)17-13(18)9-3-4-19-11(9)7-1-2-7/h5-7,9,11H,1-4H2,(H,16,17,18)/t9-,11+/m1/s1
InChIKeyCIAGUFDGELNOKJ-KOLCDFICSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide?
The IUPAC name of (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide (CID 136588671) is (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide is O=C(Nc1ncc(F)cc1Br)[C@@H]1CCO[C@H]1C1CC1.
What is the InChIKey of (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide?
The InChIKey is CIAGUFDGELNOKJ-KOLCDFICSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c14-10-5-8(15)6-16-12(10)17-13(18)9-3-4-19-11(9)7-1-2-7/h5-7,9,11H,1-4H2,(H,16,17,18)/t9-,11+/m1/s1.
What are the key properties of (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide?
(2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide has a molecular weight of 329.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(3-bromo-5-fluoro-2-pyridinyl)-2-cyclopropyloxolane-3-carboxamide is sourced from PubChem (CID 136588671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).