3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine

C29H30N8O5 — CID 158441880

About 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine

3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine (PubChem CID 158441880) has the molecular formula C29H30N8O5 and a molecular weight of 570.61 g/mol. Its IUPAC name is 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine
• PubChem CID: 158441880
• Molecular Formula: C29H30N8O5
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.23
• IUPAC Name: 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine
• SMILES: Nc1cccc(COc2cccnc2N)c1.Nc1ncccc1O.Nc1ncccc1OCc1cccc([N+](=O)[O-])c1
• InChI: InChI=1S/C12H11N3O3.C12H13N3O.C5H6N2O/c13-12-11(5-2-6-14-12)18-8-9-3-1-4-10(7-9)15(16)17;13-10-4-1-3-9(7-10)8-16-11-5-2-6-15-12(11)14;6-5-4(8)2-1-3-7-5/h1-7H,8H2,(H2,13,14);1-7H,8,13H2,(H2,14,15);1-3,8H,(H2,6,7)
• InChIKey: HCXOQIKOJJNJDS-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 224.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine?

The IUPAC name of 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine (CID 158441880) is 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine.

What is the SMILES notation for 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine?

The canonical SMILES for 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine is Nc1cccc(COc2cccnc2N)c1.Nc1ncccc1O.Nc1ncccc1OCc1cccc([N+](=O)[O-])c1.

What is the InChIKey of 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine?

The InChIKey is HCXOQIKOJJNJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3.C12H13N3O.C5H6N2O/c13-12-11(5-2-6-14-12)18-8-9-3-1-4-10(7-9)15(16)17;13-10-4-1-3-9(7-10)8-16-11-5-2-6-15-12(11)14;6-5-4(8)2-1-3-7-5/h1-7H,8H2,(H2,13,14);1-7H,8,13H2,(H2,14,15);1-3,8H,(H2,6,7).

What are the key properties of 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine?

3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine has a molecular weight of 570.61 g/mol, XLogP of 4.35, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-aminophenyl)methoxy]pyridin-2-amine;2-aminopyridin-3-ol;3-[(3-nitrophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 158441880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).