About 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine
2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine (PubChem CID 167668845) has the molecular formula C35H47ClN8O5
and a molecular weight of 695.26 g/mol. Its IUPAC name is 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine.
Molecular Properties
| Compound Name | 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine |
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| PubChem CID | 167668845 |
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| Molecular Formula | C35H47ClN8O5 |
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| Molecular Weight | 695.26 g/mol |
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| Exact Mass | 694.34 |
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| IUPAC Name | 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine |
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| SMILES | CCC(OC)c1ccccn1.COC(C)c1cccnn1.COCc1cccc(Cl)n1.COCc1cccnn1.COCc1ccncn1 |
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| InChI | InChI=1S/C9H13NO.C7H8ClNO.C7H10N2O.2C6H8N2O/c1-3-9(11-2)8-6-4-5-7-10-8;1-10-5-6-3-2-4-7(8)9-6;1-6(10-2)7-4-3-5-8-9-7;1-9-4-6-2-3-7-5-8-6;1-9-5-6-3-2-4-7-8-6/h4-7,9H,3H2,1-2H3;2-4H,5H2,1H3;3-6H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3 |
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| InChIKey | KOVZDJJVPZMHPN-UHFFFAOYSA-N |
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| XLogP | 6.49 |
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| TPSA | 149.27 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 13 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 695.26 |
| LogP ≤ 5 | 6.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine?
The IUPAC name of 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine (CID 167668845) is 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine.
What is the SMILES notation for 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine?
The canonical SMILES for 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine is CCC(OC)c1ccccn1.COC(C)c1cccnn1.COCc1cccc(Cl)n1.COCc1cccnn1.COCc1ccncn1.
What is the InChIKey of 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine?
The InChIKey is KOVZDJJVPZMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C7H8ClNO.C7H10N2O.2C6H8N2O/c1-3-9(11-2)8-6-4-5-7-10-8;1-10-5-6-3-2-4-7(8)9-6;1-6(10-2)7-4-3-5-8-9-7;1-9-4-6-2-3-7-5-8-6;1-9-5-6-3-2-4-7-8-6/h4-7,9H,3H2,1-2H3;2-4H,5H2,1H3;3-6H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3.
What are the key properties of 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine?
2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine has a molecular weight of 695.26 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methoxymethyl)pyridine;3-(1-methoxyethyl)pyridazine;3-(methoxymethyl)pyridazine;4-(methoxymethyl)pyrimidine;2-(1-methoxypropyl)pyridine is sourced from PubChem (CID 167668845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).