6-(4-aminooxybut-1-ynyl)pyridin-3-ol

C9H10N2O2 — CID 170739300

IUPAC6-(4-aminooxybut-1-ynyl)pyridin-3-ol
SMILESNOCCC#Cc1ccc(O)cn1
InChIInChI=1S/C9H10N2O2/c10-13-6-2-1-3-8-4-5-9(12)7-11-8/h4-5,7,12H,2,6,10H2
InChIKeyVCWLGHJJZHSMRY-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.42
Rot. Bonds2

About 6-(4-aminooxybut-1-ynyl)pyridin-3-ol

6-(4-aminooxybut-1-ynyl)pyridin-3-ol (PubChem CID 170739300) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-(4-aminooxybut-1-ynyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(4-aminooxybut-1-ynyl)pyridin-3-ol
PubChem CID170739300
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-(4-aminooxybut-1-ynyl)pyridin-3-ol
SMILESNOCCC#Cc1ccc(O)cn1
InChIInChI=1S/C9H10N2O2/c10-13-6-2-1-3-8-4-5-9(12)7-11-8/h4-5,7,12H,2,6,10H2
InChIKeyVCWLGHJJZHSMRY-UHFFFAOYSA-N
XLogP0.42
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminooxybut-1-ynyl)pyridin-3-ol?
The IUPAC name of 6-(4-aminooxybut-1-ynyl)pyridin-3-ol (CID 170739300) is 6-(4-aminooxybut-1-ynyl)pyridin-3-ol.
What is the SMILES notation for 6-(4-aminooxybut-1-ynyl)pyridin-3-ol?
The canonical SMILES for 6-(4-aminooxybut-1-ynyl)pyridin-3-ol is NOCCC#Cc1ccc(O)cn1.
What is the InChIKey of 6-(4-aminooxybut-1-ynyl)pyridin-3-ol?
The InChIKey is VCWLGHJJZHSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-13-6-2-1-3-8-4-5-9(12)7-11-8/h4-5,7,12H,2,6,10H2.
What are the key properties of 6-(4-aminooxybut-1-ynyl)pyridin-3-ol?
6-(4-aminooxybut-1-ynyl)pyridin-3-ol has a molecular weight of 178.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminooxybut-1-ynyl)pyridin-3-ol is sourced from PubChem (CID 170739300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).