3-(3-amino-2-pyridinyl)prop-2-yn-1-ol

C8H8N2O — CID 169484651

IUPAC3-(3-amino-2-pyridinyl)prop-2-yn-1-ol
SMILESNc1cccnc1C#CCO
InChIInChI=1S/C8H8N2O/c9-7-3-1-5-10-8(7)4-2-6-11/h1,3,5,11H,6,9H2
InChIKeyKBDMITRCTBPCAC-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.01
Rot. Bonds

About 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol

3-(3-amino-2-pyridinyl)prop-2-yn-1-ol (PubChem CID 169484651) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(3-amino-2-pyridinyl)prop-2-yn-1-ol
PubChem CID169484651
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-(3-amino-2-pyridinyl)prop-2-yn-1-ol
SMILESNc1cccnc1C#CCO
InChIInChI=1S/C8H8N2O/c9-7-3-1-5-10-8(7)4-2-6-11/h1,3,5,11H,6,9H2
InChIKeyKBDMITRCTBPCAC-UHFFFAOYSA-N
XLogP0.01
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol?
The IUPAC name of 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol (CID 169484651) is 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol is Nc1cccnc1C#CCO.
What is the InChIKey of 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol?
The InChIKey is KBDMITRCTBPCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-7-3-1-5-10-8(7)4-2-6-11/h1,3,5,11H,6,9H2.
What are the key properties of 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol?
3-(3-amino-2-pyridinyl)prop-2-yn-1-ol has a molecular weight of 148.16 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-pyridinyl)prop-2-yn-1-ol is sourced from PubChem (CID 169484651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).