3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol

C12H18FNO — CID 82920139

IUPAC3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol
SMILESCCC(CC)CC(O)c1ncccc1F
InChIInChI=1S/C12H18FNO/c1-3-9(4-2)8-11(15)12-10(13)6-5-7-14-12/h5-7,9,11,15H,3-4,8H2,1-2H3
InChIKeyQLEQYLIVOXLSEL-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.08
Rot. Bonds5

About 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol

3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol (PubChem CID 82920139) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol
PubChem CID82920139
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol
SMILESCCC(CC)CC(O)c1ncccc1F
InChIInChI=1S/C12H18FNO/c1-3-9(4-2)8-11(15)12-10(13)6-5-7-14-12/h5-7,9,11,15H,3-4,8H2,1-2H3
InChIKeyQLEQYLIVOXLSEL-UHFFFAOYSA-N
XLogP3.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol?
The IUPAC name of 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol (CID 82920139) is 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol?
The canonical SMILES for 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol is CCC(CC)CC(O)c1ncccc1F.
What is the InChIKey of 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol?
The InChIKey is QLEQYLIVOXLSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-9(4-2)8-11(15)12-10(13)6-5-7-14-12/h5-7,9,11,15H,3-4,8H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol?
3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol is sourced from PubChem (CID 82920139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).