3-Pyridineethanol

C7H9NO — CID 80515

IUPAC2-pyridin-3-ylethanol
SMILESC1=CC(=CN=C1)CCO
InChIInChI=1S/C7H9NO/c9-5-3-7-2-1-4-8-6-7/h1-2,4,6,9H,3,5H2
InChIKeyYPWSASPSYAWQRK-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.10
Rot. Bonds2

About 3-Pyridineethanol

3-Pyridineethanol (PubChem CID 80515) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-pyridin-3-ylethanol.

Molecular Properties

Compound Name3-Pyridineethanol
PubChem CID80515
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-pyridin-3-ylethanol
SMILESC1=CC(=CN=C1)CCO
InChIInChI=1S/C7H9NO/c9-5-3-7-2-1-4-8-6-7/h1-2,4,6,9H,3,5H2
InChIKeyYPWSASPSYAWQRK-UHFFFAOYSA-N
XLogP0.10
TPSA33.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity75

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Risedronate
CID 5245
3-Pyridinemethanol
CID 7510
3-Pyridineacetic acid
CID 108
Risedronate Sodium
CID 4194514
3-Ethylpyridine
CID 10823
2-(2-Hydroxyethyl)pyridine
CID 7675
3-Pyridinepropanol
CID 17861
Mepiroxol
CID 71668
4-Hydroxymethylpyridine
CID 11472
3-Propylpyridine
CID 78405
4-Pyridineethanol
CID 72921
Phenyl(pyridin-3-yl)methanol
CID 234839

Frequently Asked Questions

What is the IUPAC name of 3-Pyridineethanol?
The IUPAC name of 3-Pyridineethanol (CID 80515) is 2-pyridin-3-ylethanol.
What is the SMILES notation for 3-Pyridineethanol?
The canonical SMILES for 3-Pyridineethanol is C1=CC(=CN=C1)CCO.
What is the InChIKey of 3-Pyridineethanol?
The InChIKey is YPWSASPSYAWQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-5-3-7-2-1-4-8-6-7/h1-2,4,6,9H,3,5H2.
What are the key properties of 3-Pyridineethanol?
3-Pyridineethanol has a molecular weight of 123.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Pyridineethanol is sourced from PubChem (CID 80515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).