1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone

C10H10ClNO2 — CID 105465547

IUPAC1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1Cl)CCOC2
InChIInChI=1S/C10H10ClNO2/c1-6(13)8-4-7-5-14-3-2-9(7)12-10(8)11/h4H,2-3,5H2,1H3
InChIKeyVFYIWGGIBFRAKL-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.01
Rot. Bonds1

About 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone

1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone (PubChem CID 105465547) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
PubChem CID105465547
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1Cl)CCOC2
InChIInChI=1S/C10H10ClNO2/c1-6(13)8-4-7-5-14-3-2-9(7)12-10(8)11/h4H,2-3,5H2,1H3
InChIKeyVFYIWGGIBFRAKL-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone (CID 105465547) is 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone is CC(=O)c1cc2c(nc1Cl)CCOC2.
What is the InChIKey of 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone?
The InChIKey is VFYIWGGIBFRAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-6(13)8-4-7-5-14-3-2-9(7)12-10(8)11/h4H,2-3,5H2,1H3.
What are the key properties of 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone?
1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone has a molecular weight of 211.65 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 105465547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).