1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol

C7H11NO2 — CID 19041016

IUPAC1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol
SMILESOCC(O)C1C=CC=CN1
InChIInChI=1S/C7H11NO2/c9-5-7(10)6-3-1-2-4-8-6/h1-4,6-10H,5H2
InChIKeyFEYPXRZMSXZWPU-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.62
Rot. Bonds2

About 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol

1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol (PubChem CID 19041016) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol
PubChem CID19041016
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol
SMILESOCC(O)C1C=CC=CN1
InChIInChI=1S/C7H11NO2/c9-5-7(10)6-3-1-2-4-8-6/h1-4,6-10H,5H2
InChIKeyFEYPXRZMSXZWPU-UHFFFAOYSA-N
XLogP-0.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol (CID 19041016) is 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol is OCC(O)C1C=CC=CN1.
What is the InChIKey of 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol?
The InChIKey is FEYPXRZMSXZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-7(10)6-3-1-2-4-8-6/h1-4,6-10H,5H2.
What are the key properties of 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol?
1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol has a molecular weight of 141.17 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-2-yl)ethane-1,2-diol is sourced from PubChem (CID 19041016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).