3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde

C13H15ClN2O2 — CID 143435630

IUPAC3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde
SMILESCc1nc2c(cc1Cl)COC21CCN(C=O)CC1
InChIInChI=1S/C13H15ClN2O2/c1-9-11(14)6-10-7-18-13(12(10)15-9)2-4-16(8-17)5-3-13/h6,8H,2-5,7H2,1H3
InChIKeyPVPJVGWTVZROQZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.02
Rot. Bonds1

About 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde

3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde (PubChem CID 143435630) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde.

Molecular Properties

Compound Name3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde
PubChem CID143435630
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde
SMILESCc1nc2c(cc1Cl)COC21CCN(C=O)CC1
InChIInChI=1S/C13H15ClN2O2/c1-9-11(14)6-10-7-18-13(12(10)15-9)2-4-16(8-17)5-3-13/h6,8H,2-5,7H2,1H3
InChIKeyPVPJVGWTVZROQZ-UHFFFAOYSA-N
XLogP2.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde?
The IUPAC name of 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde (CID 143435630) is 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde.
What is the SMILES notation for 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde?
The canonical SMILES for 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde is Cc1nc2c(cc1Cl)COC21CCN(C=O)CC1.
What is the InChIKey of 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde?
The InChIKey is PVPJVGWTVZROQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9-11(14)6-10-7-18-13(12(10)15-9)2-4-16(8-17)5-3-13/h6,8H,2-5,7H2,1H3.
What are the key properties of 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde?
3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde has a molecular weight of 266.73 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-carbaldehyde is sourced from PubChem (CID 143435630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).