4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C14H12N2O2 — CID 90842969

IUPAC4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1c2c(c(O)n1-c1cccnc1)C1C=CC2C1
InChIInChI=1S/C14H12N2O2/c17-13-11-8-3-4-9(6-8)12(11)14(18)16(13)10-2-1-5-15-7-10/h1-5,7-9,17-18H,6H2
InChIKeyWIQCWBNFJFTQEQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.42
Rot. Bonds1

About 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 90842969) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID90842969
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESOc1c2c(c(O)n1-c1cccnc1)C1C=CC2C1
InChIInChI=1S/C14H12N2O2/c17-13-11-8-3-4-9(6-8)12(11)14(18)16(13)10-2-1-5-15-7-10/h1-5,7-9,17-18H,6H2
InChIKeyWIQCWBNFJFTQEQ-UHFFFAOYSA-N
XLogP2.42
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 90842969) is 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is Oc1c2c(c(O)n1-c1cccnc1)C1C=CC2C1.
What is the InChIKey of 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is WIQCWBNFJFTQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-13-11-8-3-4-9(6-8)12(11)14(18)16(13)10-2-1-5-15-7-10/h1-5,7-9,17-18H,6H2.
What are the key properties of 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 240.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 90842969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).