2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine

C47H36ClN12O7+ — CID 158224669

About 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine

2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine (PubChem CID 158224669) has the molecular formula C47H36ClN12O7+ and a molecular weight of 916.34 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine
• PubChem CID: 158224669
• Molecular Formula: C47H36ClN12O7+
• Molecular Weight: 916.34 g/mol
• Exact Mass: 915.25
• IUPAC Name: 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine
• SMILES: COc1ccc(CCl)nc1.COc1ccc(COc2cnc3oc(-c4cccnc4)nc3c2)nc1.Nc1cnc2oc(-c3cccnc3)nc2c1.Oc1cnc2oc(C3=CN=[C+]C=C3)nc2c1
• InChI: InChI=1S/C18H14N4O3.C11H8N4O.C11H5N3O2.C7H8ClNO/c1-23-14-5-4-13(20-9-14)11-24-15-7-16-18(21-10-15)25-17(22-16)12-3-2-6-19-8-12;12-8-4-9-11(14-6-8)16-10(15-9)7-2-1-3-13-5-7;15-8-4-9-11(13-6-8)16-10(14-9)7-2-1-3-12-5-7;1-10-7-3-2-6(4-8)9-5-7/h2-10H,11H2,1H3;1-6H,12H2;1-2,4-6H;2-3,5H,4H2,1H3/p+1
• InChIKey: GDQPYOVZGWGRTF-UHFFFAOYSA-O
• XLogP: 8.75
• TPSA: 254.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	916.34
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine?

The IUPAC name of 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine (CID 158224669) is 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine.

What is the SMILES notation for 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine?

The canonical SMILES for 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine is COc1ccc(CCl)nc1.COc1ccc(COc2cnc3oc(-c4cccnc4)nc3c2)nc1.Nc1cnc2oc(-c3cccnc3)nc2c1.Oc1cnc2oc(C3=CN=[C+]C=C3)nc2c1.

What is the InChIKey of 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine?

The InChIKey is GDQPYOVZGWGRTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14N4O3.C11H8N4O.C11H5N3O2.C7H8ClNO/c1-23-14-5-4-13(20-9-14)11-24-15-7-16-18(21-10-15)25-17(22-16)12-3-2-6-19-8-12;12-8-4-9-11(14-6-8)16-10(15-9)7-2-1-3-13-5-7;15-8-4-9-11(13-6-8)16-10(14-9)7-2-1-3-12-5-7;1-10-7-3-2-6(4-8)9-5-7/h2-10H,11H2,1H3;1-6H,12H2;1-2,4-6H;2-3,5H,4H2,1H3/p+1.

What are the key properties of 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine?

2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine has a molecular weight of 916.34 g/mol, XLogP of 8.75, 9 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-5-methoxypyridine;6-[(5-methoxy-2-pyridinyl)methoxy]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine;2-(2H-pyridin-2-ylium-5-yl)-[1,3]oxazolo[5,4-b]pyridin-6-ol;2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 158224669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).