(2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate

C17H15BrFNO3 — CID 154865451

IUPAC(2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate
SMILESO=C(OCc1ccccc1F)[C@@H]1CCO[C@H]1c1cncc(Br)c1
InChIInChI=1S/C17H15BrFNO3/c18-13-7-12(8-20-9-13)16-14(5-6-22-16)17(21)23-10-11-3-1-2-4-15(11)19/h1-4,7-9,14,16H,5-6,10H2/t14-,16+/m1/s1
InChIKeyIXFOUUWKDDCECC-ZBFHGGJFSA-N
MW380.21 g/mol
LogP3.80
Rot. Bonds4

About (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate

(2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate (PubChem CID 154865451) has the molecular formula C17H15BrFNO3 and a molecular weight of 380.21 g/mol. Its IUPAC name is (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate
PubChem CID154865451
Molecular FormulaC17H15BrFNO3
Molecular Weight380.21 g/mol
Exact Mass379.02
IUPAC Name(2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate
SMILESO=C(OCc1ccccc1F)[C@@H]1CCO[C@H]1c1cncc(Br)c1
InChIInChI=1S/C17H15BrFNO3/c18-13-7-12(8-20-9-13)16-14(5-6-22-16)17(21)23-10-11-3-1-2-4-15(11)19/h1-4,7-9,14,16H,5-6,10H2/t14-,16+/m1/s1
InChIKeyIXFOUUWKDDCECC-ZBFHGGJFSA-N
XLogP3.80
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate (CID 154865451) is (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate is O=C(OCc1ccccc1F)[C@@H]1CCO[C@H]1c1cncc(Br)c1.
What is the InChIKey of (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate?
The InChIKey is IXFOUUWKDDCECC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H15BrFNO3/c18-13-7-12(8-20-9-13)16-14(5-6-22-16)17(21)23-10-11-3-1-2-4-15(11)19/h1-4,7-9,14,16H,5-6,10H2/t14-,16+/m1/s1.
What are the key properties of (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate?
(2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate has a molecular weight of 380.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl (2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylate is sourced from PubChem (CID 154865451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).