(1S)-1-pyridin-3-ylpropan-1-ol

C8H11NO — CID 11083941

IUPAC(1S)-1-pyridin-3-ylpropan-1-ol
SMILESCC[C@H](O)c1cccnc1
InChIInChI=1S/C8H11NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6,8,10H,2H2,1H3/t8-/m0/s1
InChIKeyFIGGGNADMGYZFG-QMMMGPOBSA-N
MW137.18 g/mol
LogP1.52
Rot. Bonds2

About (1S)-1-pyridin-3-ylpropan-1-ol

(1S)-1-pyridin-3-ylpropan-1-ol (PubChem CID 11083941) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1S)-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-pyridin-3-ylpropan-1-ol
PubChem CID11083941
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1S)-1-pyridin-3-ylpropan-1-ol
SMILESCC[C@H](O)c1cccnc1
InChIInChI=1S/C8H11NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6,8,10H,2H2,1H3/t8-/m0/s1
InChIKeyFIGGGNADMGYZFG-QMMMGPOBSA-N
XLogP1.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of (1S)-1-pyridin-3-ylpropan-1-ol (CID 11083941) is (1S)-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for (1S)-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for (1S)-1-pyridin-3-ylpropan-1-ol is CC[C@H](O)c1cccnc1.
What is the InChIKey of (1S)-1-pyridin-3-ylpropan-1-ol?
The InChIKey is FIGGGNADMGYZFG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6,8,10H,2H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-pyridin-3-ylpropan-1-ol?
(1S)-1-pyridin-3-ylpropan-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 11083941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).