6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine

C8H8ClNO — CID 83827162

IUPAC6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine
SMILESClc1cc2c(cn1)COCC2
InChIInChI=1S/C8H8ClNO/c9-8-3-6-1-2-11-5-7(6)4-10-8/h3-4H,1-2,5H2
InChIKeyQOIBJOXGHPEWGW-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.81
Rot. Bonds

About 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine

6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine (PubChem CID 83827162) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine
PubChem CID83827162
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine
SMILESClc1cc2c(cn1)COCC2
InChIInChI=1S/C8H8ClNO/c9-8-3-6-1-2-11-5-7(6)4-10-8/h3-4H,1-2,5H2
InChIKeyQOIBJOXGHPEWGW-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 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine?
The IUPAC name of 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine (CID 83827162) is 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine.
What is the SMILES notation for 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine?
The canonical SMILES for 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine is Clc1cc2c(cn1)COCC2.
What is the InChIKey of 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine?
The InChIKey is QOIBJOXGHPEWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-8-3-6-1-2-11-5-7(6)4-10-8/h3-4H,1-2,5H2.
What are the key properties of 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine?
6-chloro-3,4-dihydro-1H-pyrano[3,4-c]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 6-chloro-3,4-dihydro-1H-pyrano[3,4-c]pyridine is sourced from PubChem (CID 83827162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).