1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one

C16H9ClN2O2 — CID 167009151

IUPAC1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C16H9ClN2O2/c17-15-12(7-8-13(20)18-15)19-11-6-2-4-9-3-1-5-10(14(9)11)16(19)21/h1-8H,(H,18,20)
InChIKeyRTFFICAMRWGUPF-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.47
Rot. Bonds1

About 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one

1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one (PubChem CID 167009151) has the molecular formula C16H9ClN2O2 and a molecular weight of 296.71 g/mol. Its IUPAC name is 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one
PubChem CID167009151
Molecular FormulaC16H9ClN2O2
Molecular Weight296.71 g/mol
Exact Mass296.04
IUPAC Name1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C16H9ClN2O2/c17-15-12(7-8-13(20)18-15)19-11-6-2-4-9-3-1-5-10(14(9)11)16(19)21/h1-8H,(H,18,20)
InChIKeyRTFFICAMRWGUPF-UHFFFAOYSA-N
XLogP3.47
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
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 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one?
The IUPAC name of 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one (CID 167009151) is 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1c1ccc(=O)[nH]c1Cl.
What is the InChIKey of 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one?
The InChIKey is RTFFICAMRWGUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2/c17-15-12(7-8-13(20)18-15)19-11-6-2-4-9-3-1-5-10(14(9)11)16(19)21/h1-8H,(H,18,20).
What are the key properties of 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one?
1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one has a molecular weight of 296.71 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-oxo-1H-pyridin-3-yl)benzo[cd]indol-2-one is sourced from PubChem (CID 167009151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).