3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol

C8H8FNO — CID 169452872

IUPAC3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1cc(F)ccn1
InChIInChI=1S/C8H8FNO/c9-7-3-4-10-8(6-7)2-1-5-11/h1-4,6,11H,5H2
InChIKeyQHORKNOKPWROGY-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.23
Rot. Bonds2

About 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol

3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol (PubChem CID 169452872) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol
PubChem CID169452872
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1cc(F)ccn1
InChIInChI=1S/C8H8FNO/c9-7-3-4-10-8(6-7)2-1-5-11/h1-4,6,11H,5H2
InChIKeyQHORKNOKPWROGY-UHFFFAOYSA-N
XLogP1.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol (CID 169452872) is 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol is OCC=Cc1cc(F)ccn1.
What is the InChIKey of 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol?
The InChIKey is QHORKNOKPWROGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c9-7-3-4-10-8(6-7)2-1-5-11/h1-4,6,11H,5H2.
What are the key properties of 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol?
3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol has a molecular weight of 153.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 169452872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).