1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone

C10H10ClNO2 — CID 10774873

IUPAC1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)c1cc2c(c(Cl)n1)OCC2C
InChIInChI=1S/C10H10ClNO2/c1-5-4-14-9-7(5)3-8(6(2)13)12-10(9)11/h3,5H,4H2,1-2H3
InChIKeyPVZPJYQIUYNTLU-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.43
Rot. Bonds1

About 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone

1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone (PubChem CID 10774873) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone
PubChem CID10774873
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)c1cc2c(c(Cl)n1)OCC2C
InChIInChI=1S/C10H10ClNO2/c1-5-4-14-9-7(5)3-8(6(2)13)12-10(9)11/h3,5H,4H2,1-2H3
InChIKeyPVZPJYQIUYNTLU-UHFFFAOYSA-N
XLogP2.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone 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 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone (CID 10774873) is 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone is CC(=O)c1cc2c(c(Cl)n1)OCC2C.
What is the InChIKey of 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone?
The InChIKey is PVZPJYQIUYNTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-5-4-14-9-7(5)3-8(6(2)13)12-10(9)11/h3,5H,4H2,1-2H3.
What are the key properties of 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone?
1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone has a molecular weight of 211.65 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 10774873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).