(1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

C14H14N2O2 — CID 91280701

IUPAC(1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccncc1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C14H14N2O2/c17-13-11-8-1-2-9(7-8)12(11)14(18)16(13)10-3-5-15-6-4-10/h3-6,8-9,17-18H,1-2,7H2/t8-,9+
InChIKeyNRXTWNOYHGBQHJ-DTORHVGOSA-N
MW242.28 g/mol
LogP2.65
Rot. Bonds1

About (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

(1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 91280701) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name(1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID91280701
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccncc1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C14H14N2O2/c17-13-11-8-1-2-9(7-8)12(11)14(18)16(13)10-3-5-15-6-4-10/h3-6,8-9,17-18H,1-2,7H2/t8-,9+
InChIKeyNRXTWNOYHGBQHJ-DTORHVGOSA-N
XLogP2.65
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 91280701) is (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1-c1ccncc1)[C@H]1CC[C@@H]2C1.
What is the InChIKey of (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is NRXTWNOYHGBQHJ-DTORHVGOSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-11-8-1-2-9(7-8)12(11)14(18)16(13)10-3-5-15-6-4-10/h3-6,8-9,17-18H,1-2,7H2/t8-,9+.
What are the key properties of (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
(1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 242.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-4-pyridin-4-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 91280701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).