1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol

C10H15NO2 — CID 121261456

IUPAC1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol
SMILESCC(C)c1ccc(C(O)CO)cn1
InChIInChI=1S/C10H15NO2/c1-7(2)9-4-3-8(5-11-9)10(13)6-12/h3-5,7,10,12-13H,6H2,1-2H3
InChIKeyWZFFPBXRTVYWBY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.23
Rot. Bonds3

About 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol

1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol (PubChem CID 121261456) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol
PubChem CID121261456
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol
SMILESCC(C)c1ccc(C(O)CO)cn1
InChIInChI=1S/C10H15NO2/c1-7(2)9-4-3-8(5-11-9)10(13)6-12/h3-5,7,10,12-13H,6H2,1-2H3
InChIKeyWZFFPBXRTVYWBY-UHFFFAOYSA-N
XLogP1.23
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol?
The IUPAC name of 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol (CID 121261456) is 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol.
What is the SMILES notation for 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol?
The canonical SMILES for 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol is CC(C)c1ccc(C(O)CO)cn1.
What is the InChIKey of 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol?
The InChIKey is WZFFPBXRTVYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)9-4-3-8(5-11-9)10(13)6-12/h3-5,7,10,12-13H,6H2,1-2H3.
What are the key properties of 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol?
1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol has a molecular weight of 181.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol is sourced from PubChem (CID 121261456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).