2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine

C8H8ClNO — CID 71743618

IUPAC2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine
SMILESClc1ccc2c(n1)CCOC2
InChIInChI=1S/C8H8ClNO/c9-8-2-1-6-5-11-4-3-7(6)10-8/h1-2H,3-5H2
InChIKeyVMIZASNDJVIUFE-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.81
Rot. Bonds

About 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine

2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine (PubChem CID 71743618) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine.

Molecular Properties

Compound Name2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine
PubChem CID71743618
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine
SMILESClc1ccc2c(n1)CCOC2
InChIInChI=1S/C8H8ClNO/c9-8-2-1-6-5-11-4-3-7(6)10-8/h1-2H,3-5H2
InChIKeyVMIZASNDJVIUFE-UHFFFAOYSA-N
XLogP1.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The IUPAC name of 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine (CID 71743618) is 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine.
What is the SMILES notation for 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The canonical SMILES for 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine is Clc1ccc2c(n1)CCOC2.
What is the InChIKey of 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
The InChIKey is VMIZASNDJVIUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-8-2-1-6-5-11-4-3-7(6)10-8/h1-2H,3-5H2.
What are the key properties of 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine?
2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine has a molecular weight of 169.61 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine is sourced from PubChem (CID 71743618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).