(1S)-1-pyridin-2-ylethanol

C7H9NO — CID 11094597

IUPAC(1S)-1-pyridin-2-ylethanol
SMILESC[C@H](O)c1ccccn1
InChIInChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3/t6-/m0/s1
InChIKeyPPHIIIRFJKDTLG-LURJTMIESA-N
MW123.15 g/mol
LogP1.13
Rot. Bonds1

About (1S)-1-pyridin-2-ylethanol

(1S)-1-pyridin-2-ylethanol (PubChem CID 11094597) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (1S)-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name(1S)-1-pyridin-2-ylethanol
PubChem CID11094597
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(1S)-1-pyridin-2-ylethanol
SMILESC[C@H](O)c1ccccn1
InChIInChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3/t6-/m0/s1
InChIKeyPPHIIIRFJKDTLG-LURJTMIESA-N
XLogP1.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-2-ylethanol?
The IUPAC name of (1S)-1-pyridin-2-ylethanol (CID 11094597) is (1S)-1-pyridin-2-ylethanol.
What is the SMILES notation for (1S)-1-pyridin-2-ylethanol?
The canonical SMILES for (1S)-1-pyridin-2-ylethanol is C[C@H](O)c1ccccn1.
What is the InChIKey of (1S)-1-pyridin-2-ylethanol?
The InChIKey is PPHIIIRFJKDTLG-LURJTMIESA-N. The full InChI is InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-pyridin-2-ylethanol?
(1S)-1-pyridin-2-ylethanol has a molecular weight of 123.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-2-ylethanol is sourced from PubChem (CID 11094597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).