1-(6-pyrrol-1-yl-3-pyridinyl)ethanol

C11H12N2O — CID 131298512

IUPAC1-(6-pyrrol-1-yl-3-pyridinyl)ethanol
SMILESCC(O)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C11H12N2O/c1-9(14)10-4-5-11(12-8-10)13-6-2-3-7-13/h2-9,14H,1H3
InChIKeyVRYGTHCULPSAIO-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.93
Rot. Bonds2

About 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol

1-(6-pyrrol-1-yl-3-pyridinyl)ethanol (PubChem CID 131298512) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(6-pyrrol-1-yl-3-pyridinyl)ethanol
PubChem CID131298512
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(6-pyrrol-1-yl-3-pyridinyl)ethanol
SMILESCC(O)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C11H12N2O/c1-9(14)10-4-5-11(12-8-10)13-6-2-3-7-13/h2-9,14H,1H3
InChIKeyVRYGTHCULPSAIO-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol?
The IUPAC name of 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol (CID 131298512) is 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol?
The canonical SMILES for 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol is CC(O)c1ccc(-n2cccc2)nc1.
What is the InChIKey of 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol?
The InChIKey is VRYGTHCULPSAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(14)10-4-5-11(12-8-10)13-6-2-3-7-13/h2-9,14H,1H3.
What are the key properties of 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol?
1-(6-pyrrol-1-yl-3-pyridinyl)ethanol has a molecular weight of 188.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrrol-1-yl-3-pyridinyl)ethanol is sourced from PubChem (CID 131298512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).