1-chloroindeno[2,1-c]pyridin-9-one

C12H6ClNO — CID 53485893

IUPAC1-chloroindeno[2,1-c]pyridin-9-one
SMILESO=C1c2ccccc2-c2ccnc(Cl)c21
InChIInChI=1S/C12H6ClNO/c13-12-10-8(5-6-14-12)7-3-1-2-4-9(7)11(10)15/h1-6H
InChIKeyRWNMCMIMSZBPPE-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.95
Rot. Bonds

About 1-chloroindeno[2,1-c]pyridin-9-one

1-chloroindeno[2,1-c]pyridin-9-one (PubChem CID 53485893) has the molecular formula C12H6ClNO and a molecular weight of 215.64 g/mol. Its IUPAC name is 1-chloroindeno[2,1-c]pyridin-9-one.

Molecular Properties

Compound Name1-chloroindeno[2,1-c]pyridin-9-one
PubChem CID53485893
Molecular FormulaC12H6ClNO
Molecular Weight215.64 g/mol
Exact Mass215.01
IUPAC Name1-chloroindeno[2,1-c]pyridin-9-one
SMILESO=C1c2ccccc2-c2ccnc(Cl)c21
InChIInChI=1S/C12H6ClNO/c13-12-10-8(5-6-14-12)7-3-1-2-4-9(7)11(10)15/h1-6H
InChIKeyRWNMCMIMSZBPPE-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
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-chloroindeno[2,1-c]pyridin-9-one?
The IUPAC name of 1-chloroindeno[2,1-c]pyridin-9-one (CID 53485893) is 1-chloroindeno[2,1-c]pyridin-9-one.
What is the SMILES notation for 1-chloroindeno[2,1-c]pyridin-9-one?
The canonical SMILES for 1-chloroindeno[2,1-c]pyridin-9-one is O=C1c2ccccc2-c2ccnc(Cl)c21.
What is the InChIKey of 1-chloroindeno[2,1-c]pyridin-9-one?
The InChIKey is RWNMCMIMSZBPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClNO/c13-12-10-8(5-6-14-12)7-3-1-2-4-9(7)11(10)15/h1-6H.
What are the key properties of 1-chloroindeno[2,1-c]pyridin-9-one?
1-chloroindeno[2,1-c]pyridin-9-one has a molecular weight of 215.64 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroindeno[2,1-c]pyridin-9-one is sourced from PubChem (CID 53485893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).