2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]

C10H10ClNO2 — CID 162728885

IUPAC2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]
SMILESClc1ccc2c(n1)C1(CCOC1)OC2
InChIInChI=1S/C10H10ClNO2/c11-8-2-1-7-5-14-10(9(7)12-8)3-4-13-6-10/h1-2H,3-6H2
InChIKeyLWZHGKUKULGCES-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.88
Rot. Bonds

About 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]

2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane] (PubChem CID 162728885) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane].

Molecular Properties

Compound Name2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]
PubChem CID162728885
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]
SMILESClc1ccc2c(n1)C1(CCOC1)OC2
InChIInChI=1S/C10H10ClNO2/c11-8-2-1-7-5-14-10(9(7)12-8)3-4-13-6-10/h1-2H,3-6H2
InChIKeyLWZHGKUKULGCES-UHFFFAOYSA-N
XLogP1.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]?
The IUPAC name of 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane] (CID 162728885) is 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane].
What is the SMILES notation for 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]?
The canonical SMILES for 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane] is Clc1ccc2c(n1)C1(CCOC1)OC2.
What is the InChIKey of 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]?
The InChIKey is LWZHGKUKULGCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-2-1-7-5-14-10(9(7)12-8)3-4-13-6-10/h1-2H,3-6H2.
What are the key properties of 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]?
2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane] has a molecular weight of 211.65 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane] is sourced from PubChem (CID 162728885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).