(3-ethoxy-1,2-dihydropyridin-2-yl)methanol

C8H13NO2 — CID 173058105

IUPAC(3-ethoxy-1,2-dihydropyridin-2-yl)methanol
SMILESCCOC1=CC=CNC1CO
InChIInChI=1S/C8H13NO2/c1-2-11-8-4-3-5-9-7(8)6-10/h3-5,7,9-10H,2,6H2,1H3
InChIKeyRXLCNOOAPGNHHZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.38
Rot. Bonds3

About (3-ethoxy-1,2-dihydropyridin-2-yl)methanol

(3-ethoxy-1,2-dihydropyridin-2-yl)methanol (PubChem CID 173058105) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3-ethoxy-1,2-dihydropyridin-2-yl)methanol.

Molecular Properties

Compound Name(3-ethoxy-1,2-dihydropyridin-2-yl)methanol
PubChem CID173058105
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3-ethoxy-1,2-dihydropyridin-2-yl)methanol
SMILESCCOC1=CC=CNC1CO
InChIInChI=1S/C8H13NO2/c1-2-11-8-4-3-5-9-7(8)6-10/h3-5,7,9-10H,2,6H2,1H3
InChIKeyRXLCNOOAPGNHHZ-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1,2-dihydropyridin-2-yl)methanol?
The IUPAC name of (3-ethoxy-1,2-dihydropyridin-2-yl)methanol (CID 173058105) is (3-ethoxy-1,2-dihydropyridin-2-yl)methanol.
What is the SMILES notation for (3-ethoxy-1,2-dihydropyridin-2-yl)methanol?
The canonical SMILES for (3-ethoxy-1,2-dihydropyridin-2-yl)methanol is CCOC1=CC=CNC1CO.
What is the InChIKey of (3-ethoxy-1,2-dihydropyridin-2-yl)methanol?
The InChIKey is RXLCNOOAPGNHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8-4-3-5-9-7(8)6-10/h3-5,7,9-10H,2,6H2,1H3.
What are the key properties of (3-ethoxy-1,2-dihydropyridin-2-yl)methanol?
(3-ethoxy-1,2-dihydropyridin-2-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1,2-dihydropyridin-2-yl)methanol is sourced from PubChem (CID 173058105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).