4-pyridin-2-ylbutan-1-ol

C9H13NO — CID 23273466

IUPAC4-pyridin-2-ylbutan-1-ol
SMILESOCCCCc1ccccn1
InChIInChI=1S/C9H13NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,2,4,6,8H2
InChIKeyQYSOMFUUWROROT-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds4

About 4-pyridin-2-ylbutan-1-ol

4-pyridin-2-ylbutan-1-ol (PubChem CID 23273466) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-pyridin-2-ylbutan-1-ol
PubChem CID23273466
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-pyridin-2-ylbutan-1-ol
SMILESOCCCCc1ccccn1
InChIInChI=1S/C9H13NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,2,4,6,8H2
InChIKeyQYSOMFUUWROROT-UHFFFAOYSA-N
XLogP1.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylbutan-1-ol?
The IUPAC name of 4-pyridin-2-ylbutan-1-ol (CID 23273466) is 4-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for 4-pyridin-2-ylbutan-1-ol?
The canonical SMILES for 4-pyridin-2-ylbutan-1-ol is OCCCCc1ccccn1.
What is the InChIKey of 4-pyridin-2-ylbutan-1-ol?
The InChIKey is QYSOMFUUWROROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,2,4,6,8H2.
What are the key properties of 4-pyridin-2-ylbutan-1-ol?
4-pyridin-2-ylbutan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 23273466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).