2,5-dihydropyridin-4-ylmethanol

C6H9NO — CID 151963941

IUPAC2,5-dihydropyridin-4-ylmethanol
SMILESOCC1=CCN=CC1
InChIInChI=1S/C6H9NO/c8-5-6-1-3-7-4-2-6/h1,4,8H,2-3,5H2
InChIKeyTZGJOTRZCHSVPU-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.38
Rot. Bonds1

About 2,5-dihydropyridin-4-ylmethanol

2,5-dihydropyridin-4-ylmethanol (PubChem CID 151963941) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2,5-dihydropyridin-4-ylmethanol.

Molecular Properties

Compound Name2,5-dihydropyridin-4-ylmethanol
PubChem CID151963941
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2,5-dihydropyridin-4-ylmethanol
SMILESOCC1=CCN=CC1
InChIInChI=1S/C6H9NO/c8-5-6-1-3-7-4-2-6/h1,4,8H,2-3,5H2
InChIKeyTZGJOTRZCHSVPU-UHFFFAOYSA-N
XLogP0.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-Fluoro-2,5-dihydropyridin-4-yl)methanol
CID 151458604
3H-pyridin-1-ium-5-ylmethanol
CID 57006838
2,5-Dihydropyridin-2-ol
CID 57131064
3H-pyridin-1-ium-4-ylmethanol
CID 57207297
2-(3H-pyridin-1-ium-5-yl)ethanol
CID 57276430
(E)-2-(methyliminomethyl)pent-2-en-1-ol
CID 89029220
1-(2,3-Dihydropyridin-5-yl)ethanol
CID 123819393
Amino(2,3-dihydropyridin-5-yl)methanol
CID 129089868
(3-Methyl-2,5-dihydropyridin-4-yl)methanol
CID 152479399

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyridin-4-ylmethanol?
The IUPAC name of 2,5-dihydropyridin-4-ylmethanol (CID 151963941) is 2,5-dihydropyridin-4-ylmethanol.
What is the SMILES notation for 2,5-dihydropyridin-4-ylmethanol?
The canonical SMILES for 2,5-dihydropyridin-4-ylmethanol is OCC1=CCN=CC1.
What is the InChIKey of 2,5-dihydropyridin-4-ylmethanol?
The InChIKey is TZGJOTRZCHSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-5-6-1-3-7-4-2-6/h1,4,8H,2-3,5H2.
What are the key properties of 2,5-dihydropyridin-4-ylmethanol?
2,5-dihydropyridin-4-ylmethanol has a molecular weight of 111.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyridin-4-ylmethanol is sourced from PubChem (CID 151963941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).