4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine

C14H18BrFN2O3 — CID 90457031

IUPAC4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine
SMILESF[C@H]1COCC[C@@H]1Oc1ncc(Br)cc1N1CCOCC1
InChIInChI=1S/C14H18BrFN2O3/c15-10-7-12(18-2-5-19-6-3-18)14(17-8-10)21-13-1-4-20-9-11(13)16/h7-8,11,13H,1-6,9H2/t11-,13-/m0/s1
InChIKeyVWFIXUSPBWMVFP-AAEUAGOBSA-N
MW361.21 g/mol
LogP2.19
Rot. Bonds3

About 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine

4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine (PubChem CID 90457031) has the molecular formula C14H18BrFN2O3 and a molecular weight of 361.21 g/mol. Its IUPAC name is 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine
PubChem CID90457031
Molecular FormulaC14H18BrFN2O3
Molecular Weight361.21 g/mol
Exact Mass360.05
IUPAC Name4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine
SMILESF[C@H]1COCC[C@@H]1Oc1ncc(Br)cc1N1CCOCC1
InChIInChI=1S/C14H18BrFN2O3/c15-10-7-12(18-2-5-19-6-3-18)14(17-8-10)21-13-1-4-20-9-11(13)16/h7-8,11,13H,1-6,9H2/t11-,13-/m0/s1
InChIKeyVWFIXUSPBWMVFP-AAEUAGOBSA-N
XLogP2.19
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine (CID 90457031) is 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine is F[C@H]1COCC[C@@H]1Oc1ncc(Br)cc1N1CCOCC1.
What is the InChIKey of 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine?
The InChIKey is VWFIXUSPBWMVFP-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H18BrFN2O3/c15-10-7-12(18-2-5-19-6-3-18)14(17-8-10)21-13-1-4-20-9-11(13)16/h7-8,11,13H,1-6,9H2/t11-,13-/m0/s1.
What are the key properties of 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine?
4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine has a molecular weight of 361.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-[(3S,4S)-3-fluorooxan-4-yl]oxy-3-pyridinyl]morpholine is sourced from PubChem (CID 90457031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).