(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol

C11H15ClFNO3 — CID 88875845

IUPAC(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol
SMILESCC(C)(O)OCC[C@H](O)c1cnc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO3/c1-11(2,16)17-4-3-9(15)7-5-8(13)10(12)14-6-7/h5-6,9,15-16H,3-4H2,1-2H3/t9-/m0/s1
InChIKeyVFKPJSHIMGSQME-VIFPVBQESA-N
MW263.70 g/mol
LogP2.04
Rot. Bonds5

About (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol

(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol (PubChem CID 88875845) has the molecular formula C11H15ClFNO3 and a molecular weight of 263.70 g/mol. Its IUPAC name is (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol
PubChem CID88875845
Molecular FormulaC11H15ClFNO3
Molecular Weight263.70 g/mol
Exact Mass263.07
IUPAC Name(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol
SMILESCC(C)(O)OCC[C@H](O)c1cnc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO3/c1-11(2,16)17-4-3-9(15)7-5-8(13)10(12)14-6-7/h5-6,9,15-16H,3-4H2,1-2H3/t9-/m0/s1
InChIKeyVFKPJSHIMGSQME-VIFPVBQESA-N
XLogP2.04
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 240724
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CID 3061980
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CID 3061981
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CID 3061983
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CID 11572275
CID 11572275
CID 44405352
CID 44405352
CID 44405356
CID 44405356
CID 11686949
CID 11686949
CID 23114865
CID 23114865
CID 59586722
CID 59586722
CID 86330824
CID 86330824
CID 92978071
CID 92978071

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol?
The IUPAC name of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol (CID 88875845) is (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol.
What is the SMILES notation for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol?
The canonical SMILES for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol is CC(C)(O)OCC[C@H](O)c1cnc(Cl)c(F)c1.
What is the InChIKey of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol?
The InChIKey is VFKPJSHIMGSQME-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClFNO3/c1-11(2,16)17-4-3-9(15)7-5-8(13)10(12)14-6-7/h5-6,9,15-16H,3-4H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol?
(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol has a molecular weight of 263.70 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol is sourced from PubChem (CID 88875845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).