1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone

C10H11ClN2O — CID 105464586

IUPAC1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1Cl)CCNC2
InChIInChI=1S/C10H11ClN2O/c1-6(14)8-4-7-5-12-3-2-9(7)13-10(8)11/h4,12H,2-3,5H2,1H3
InChIKeyAYVDSPAHSXHPTL-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.58
Rot. Bonds1

About 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone

1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone (PubChem CID 105464586) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
PubChem CID105464586
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1Cl)CCNC2
InChIInChI=1S/C10H11ClN2O/c1-6(14)8-4-7-5-12-3-2-9(7)13-10(8)11/h4,12H,2-3,5H2,1H3
InChIKeyAYVDSPAHSXHPTL-UHFFFAOYSA-N
XLogP1.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-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-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone (CID 105464586) is 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone is CC(=O)c1cc2c(nc1Cl)CCNC2.
What is the InChIKey of 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone?
The InChIKey is AYVDSPAHSXHPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6(14)8-4-7-5-12-3-2-9(7)13-10(8)11/h4,12H,2-3,5H2,1H3.
What are the key properties of 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone?
1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone has a molecular weight of 210.66 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone is sourced from PubChem (CID 105464586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).