5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol

C9H12N2O — CID 22337336

IUPAC5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol
SMILESOCc1ccc2c(n1)NCCC2
InChIInChI=1S/C9H12N2O/c12-6-8-4-3-7-2-1-5-10-9(7)11-8/h3-4,12H,1-2,5-6H2,(H,10,11)
InChIKeyWCZIBQKXBMHRLJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.93
Rot. Bonds1

About 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol

5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol (PubChem CID 22337336) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol
PubChem CID22337336
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol
SMILESOCc1ccc2c(n1)NCCC2
InChIInChI=1S/C9H12N2O/c12-6-8-4-3-7-2-1-5-10-9(7)11-8/h3-4,12H,1-2,5-6H2,(H,10,11)
InChIKeyWCZIBQKXBMHRLJ-UHFFFAOYSA-N
XLogP0.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol 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 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol?
The IUPAC name of 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol (CID 22337336) is 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol.
What is the SMILES notation for 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol?
The canonical SMILES for 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol is OCc1ccc2c(n1)NCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol?
The InChIKey is WCZIBQKXBMHRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-6-8-4-3-7-2-1-5-10-9(7)11-8/h3-4,12H,1-2,5-6H2,(H,10,11).
What are the key properties of 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol?
5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol has a molecular weight of 164.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanol is sourced from PubChem (CID 22337336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).