1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol

C16H19FN2O2 — CID 115940714

IUPAC1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
SMILESCCCOc1cncc(C(O)(CC)c2ccc(F)cn2)c1
InChIInChI=1S/C16H19FN2O2/c1-3-7-21-14-8-12(9-18-11-14)16(20,4-2)15-6-5-13(17)10-19-15/h5-6,8-11,20H,3-4,7H2,1-2H3
InChIKeyLZNZKZVXGDLCLW-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.05
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol

1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol (PubChem CID 115940714) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
PubChem CID115940714
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
SMILESCCCOc1cncc(C(O)(CC)c2ccc(F)cn2)c1
InChIInChI=1S/C16H19FN2O2/c1-3-7-21-14-8-12(9-18-11-14)16(20,4-2)15-6-5-13(17)10-19-15/h5-6,8-11,20H,3-4,7H2,1-2H3
InChIKeyLZNZKZVXGDLCLW-UHFFFAOYSA-N
XLogP3.05
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 115940675
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585785
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
CID 112585794
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol
CID 114852677
1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol
CID 114872383

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol (CID 115940714) is 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol is CCCOc1cncc(C(O)(CC)c2ccc(F)cn2)c1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol?
The InChIKey is LZNZKZVXGDLCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-7-21-14-8-12(9-18-11-14)16(20,4-2)15-6-5-13(17)10-19-15/h5-6,8-11,20H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol?
1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol has a molecular weight of 290.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 115940714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).