2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol

C12H20ClNO2 — CID 177205528

IUPAC2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol
SMILESC.CCCO.Clc1ccc2c(n1)COCC2
InChIInChI=1S/C8H8ClNO.C3H8O.CH4/c9-8-2-1-6-3-4-11-5-7(6)10-8;1-2-3-4;/h1-2H,3-5H2;4H,2-3H2,1H3;1H4
InChIKeyCFQHJFDIRPHFTB-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.83
Rot. Bonds1

About 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol

2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol (PubChem CID 177205528) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol.

Molecular Properties

Compound Name2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol
PubChem CID177205528
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol
SMILESC.CCCO.Clc1ccc2c(n1)COCC2
InChIInChI=1S/C8H8ClNO.C3H8O.CH4/c9-8-2-1-6-3-4-11-5-7(6)10-8;1-2-3-4;/h1-2H,3-5H2;4H,2-3H2,1H3;1H4
InChIKeyCFQHJFDIRPHFTB-UHFFFAOYSA-N
XLogP2.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol?
The IUPAC name of 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol (CID 177205528) is 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol.
What is the SMILES notation for 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol?
The canonical SMILES for 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol is C.CCCO.Clc1ccc2c(n1)COCC2.
What is the InChIKey of 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol?
The InChIKey is CFQHJFDIRPHFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.C3H8O.CH4/c9-8-2-1-6-3-4-11-5-7(6)10-8;1-2-3-4;/h1-2H,3-5H2;4H,2-3H2,1H3;1H4.
What are the key properties of 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol?
2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol has a molecular weight of 245.75 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,8-dihydro-5H-pyrano[3,4-b]pyridine;methane;propan-1-ol is sourced from PubChem (CID 177205528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).