Nordefrin

C₉H₁₃NO₃ — CID 3917

About Nordefrin

Nordefrin (PubChem CID 3917) has the molecular formula C₉H₁₃NO₃ and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxypropyl)benzene-1,2-diol.

Molecular Properties

• Compound Name: Nordefrin
• PubChem CID: 3917
• Molecular Formula: C₉H₁₃NO₃
• Molecular Weight: 183.21 g/mol
• Exact Mass: 183.09
• IUPAC Name: 4-(2-amino-1-hydroxypropyl)benzene-1,2-diol
• SMILES: CC(N)C(O)c1ccc(O)c(O)c1
• InChI: InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
• InChIKey: GEFQWZLICWMTKF-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 86.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.21
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Nordefrin?

The IUPAC name of Nordefrin (CID 3917) is 4-(2-amino-1-hydroxypropyl)benzene-1,2-diol.

What is the SMILES notation for Nordefrin?

The canonical SMILES for Nordefrin is CC(N)C(O)c1ccc(O)c(O)c1.

What is the InChIKey of Nordefrin?

The InChIKey is GEFQWZLICWMTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3.

What are the key properties of Nordefrin?

Nordefrin has a molecular weight of 183.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Nordefrin is sourced from PubChem (CID 3917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3917 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3203 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.