(3-fluoro-2,5-dihydropyridin-4-yl)methanol

C6H8FNO — CID 151458604

IUPAC(3-fluoro-2,5-dihydropyridin-4-yl)methanol
SMILESOCC1=C(F)CN=CC1
InChIInChI=1S/C6H8FNO/c7-6-3-8-2-1-5(6)4-9/h2,9H,1,3-4H2
InChIKeyPHZAYGGVIJQARL-UHFFFAOYSA-N
MW129.13 g/mol
LogP0.68
Rot. Bonds1

About (3-fluoro-2,5-dihydropyridin-4-yl)methanol

(3-fluoro-2,5-dihydropyridin-4-yl)methanol (PubChem CID 151458604) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (3-fluoro-2,5-dihydropyridin-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-2,5-dihydropyridin-4-yl)methanol
PubChem CID151458604
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(3-fluoro-2,5-dihydropyridin-4-yl)methanol
SMILESOCC1=C(F)CN=CC1
InChIInChI=1S/C6H8FNO/c7-6-3-8-2-1-5(6)4-9/h2,9H,1,3-4H2
InChIKeyPHZAYGGVIJQARL-UHFFFAOYSA-N
XLogP0.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2,5-dihydropyridin-4-yl)methanol?
The IUPAC name of (3-fluoro-2,5-dihydropyridin-4-yl)methanol (CID 151458604) is (3-fluoro-2,5-dihydropyridin-4-yl)methanol.
What is the SMILES notation for (3-fluoro-2,5-dihydropyridin-4-yl)methanol?
The canonical SMILES for (3-fluoro-2,5-dihydropyridin-4-yl)methanol is OCC1=C(F)CN=CC1.
What is the InChIKey of (3-fluoro-2,5-dihydropyridin-4-yl)methanol?
The InChIKey is PHZAYGGVIJQARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c7-6-3-8-2-1-5(6)4-9/h2,9H,1,3-4H2.
What are the key properties of (3-fluoro-2,5-dihydropyridin-4-yl)methanol?
(3-fluoro-2,5-dihydropyridin-4-yl)methanol has a molecular weight of 129.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2,5-dihydropyridin-4-yl)methanol is sourced from PubChem (CID 151458604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).