ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol

C9H17NO2 — CID 143526379

IUPACethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol
SMILESCC.OCC1=CC=CC(CO)N1
InChIInChI=1S/C7H11NO2.C2H6/c9-4-6-2-1-3-7(5-10)8-6;1-2/h1-3,6,8-10H,4-5H2;1-2H3
InChIKeyDOVBEAGKVKOZTP-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.41
Rot. Bonds2

About ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol

ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol (PubChem CID 143526379) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol.

Molecular Properties

Compound Nameethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol
PubChem CID143526379
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol
SMILESCC.OCC1=CC=CC(CO)N1
InChIInChI=1S/C7H11NO2.C2H6/c9-4-6-2-1-3-7(5-10)8-6;1-2/h1-3,6,8-10H,4-5H2;1-2H3
InChIKeyDOVBEAGKVKOZTP-UHFFFAOYSA-N
XLogP0.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol?
The IUPAC name of ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol (CID 143526379) is ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol.
What is the SMILES notation for ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol?
The canonical SMILES for ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol is CC.OCC1=CC=CC(CO)N1.
What is the InChIKey of ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol?
The InChIKey is DOVBEAGKVKOZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C2H6/c9-4-6-2-1-3-7(5-10)8-6;1-2/h1-3,6,8-10H,4-5H2;1-2H3.
What are the key properties of ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol?
ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol has a molecular weight of 171.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[6-(hydroxymethyl)-1,2-dihydropyridin-2-yl]methanol is sourced from PubChem (CID 143526379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).