3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine

C8H9N3O2 — CID 14297064

IUPAC3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESO=[N+]([O-])c1cnc2c(c1)CNCC2
InChIInChI=1S/C8H9N3O2/c12-11(13)7-3-6-4-9-2-1-8(6)10-5-7/h3,5,9H,1-2,4H2
InChIKeyJGYRPWPCCHANJO-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.64
Rot. Bonds1

About 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine

3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 14297064) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID14297064
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESO=[N+]([O-])c1cnc2c(c1)CNCC2
InChIInChI=1S/C8H9N3O2/c12-11(13)7-3-6-4-9-2-1-8(6)10-5-7/h3,5,9H,1-2,4H2
InChIKeyJGYRPWPCCHANJO-UHFFFAOYSA-N
XLogP0.64
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine 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 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 14297064) is 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine is O=[N+]([O-])c1cnc2c(c1)CNCC2.
What is the InChIKey of 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is JGYRPWPCCHANJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-11(13)7-3-6-4-9-2-1-8(6)10-5-7/h3,5,9H,1-2,4H2.
What are the key properties of 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine?
3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 179.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 14297064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).