dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol

C31H34Cl2N6O5 — CID 159211582

About dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol

dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol (PubChem CID 159211582) has the molecular formula C31H34Cl2N6O5 and a molecular weight of 641.56 g/mol. Its IUPAC name is dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol.

Molecular Properties

• Compound Name: dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol
• PubChem CID: 159211582
• Molecular Formula: C31H34Cl2N6O5
• Molecular Weight: 641.56 g/mol
• Exact Mass: 640.20
• IUPAC Name: dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol
• SMILES: C1CCOC1.CCOC(=O)c1cnn2ccccc12.ClCCl.O=Cc1cnn2ccccc12.OCc1cnn2ccccc12
• InChI: InChI=1S/C10H10N2O2.C8H8N2O.C8H6N2O.C4H8O.CH2Cl2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12;2*11-6-7-5-9-10-4-2-1-3-8(7)10;1-2-4-5-3-1;2-1-3/h3-7H,2H2,1H3;1-5,11H,6H2;1-6H;1-4H2;1H2
• InChIKey: KQOCEFJFUFCRQP-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 124.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	641.56
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol?

The IUPAC name of dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol (CID 159211582) is dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol.

What is the SMILES notation for dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol?

The canonical SMILES for dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol is C1CCOC1.CCOC(=O)c1cnn2ccccc12.ClCCl.O=Cc1cnn2ccccc12.OCc1cnn2ccccc12.

What is the InChIKey of dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol?

The InChIKey is KQOCEFJFUFCRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C8H8N2O.C8H6N2O.C4H8O.CH2Cl2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12;2*11-6-7-5-9-10-4-2-1-3-8(7)10;1-2-4-5-3-1;2-1-3/h3-7H,2H2,1H3;1-5,11H,6H2;1-6H;1-4H2;1H2.

What are the key properties of dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol?

dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol has a molecular weight of 641.56 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;oxolane;pyrazolo[1,5-a]pyridine-3-carbaldehyde;pyrazolo[1,5-a]pyridin-3-ylmethanol is sourced from PubChem (CID 159211582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).