(1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol

C6H11NO2 — CID 141217444

IUPAC(1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol
SMILESOCC1CCC=CN1O
InChIInChI=1S/C6H11NO2/c8-5-6-3-1-2-4-7(6)9/h2,4,6,8-9H,1,3,5H2
InChIKeySAHBWVZGRMTORN-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.35
Rot. Bonds1

About (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol

(1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol (PubChem CID 141217444) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol.

Molecular Properties

Compound Name(1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol
PubChem CID141217444
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol
SMILESOCC1CCC=CN1O
InChIInChI=1S/C6H11NO2/c8-5-6-3-1-2-4-7(6)9/h2,4,6,8-9H,1,3,5H2
InChIKeySAHBWVZGRMTORN-UHFFFAOYSA-N
XLogP0.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol
CID 89116485
[(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol
CID 89242815
1-hydroxy-3,4-dihydro-2H-pyridin-2-ol
CID 134537420

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol?
The IUPAC name of (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol (CID 141217444) is (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol.
What is the SMILES notation for (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol?
The canonical SMILES for (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol is OCC1CCC=CN1O.
What is the InChIKey of (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol?
The InChIKey is SAHBWVZGRMTORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-6-3-1-2-4-7(6)9/h2,4,6,8-9H,1,3,5H2.
What are the key properties of (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol?
(1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol has a molecular weight of 129.16 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3,4-dihydro-2H-pyridin-2-yl)methanol is sourced from PubChem (CID 141217444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).