1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione

C14H8ClFN2O2 — CID 18071807

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(F)cc21
InChIInChI=1S/C14H8ClFN2O2/c15-12-4-1-8(6-17-12)7-18-11-3-2-9(16)5-10(11)13(19)14(18)20/h1-6H,7H2
InChIKeyHYSQRBKIXSXAPI-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.60
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione

1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione (PubChem CID 18071807) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
PubChem CID18071807
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(F)cc21
InChIInChI=1S/C14H8ClFN2O2/c15-12-4-1-8(6-17-12)7-18-11-3-2-9(16)5-10(11)13(19)14(18)20/h1-6H,7H2
InChIKeyHYSQRBKIXSXAPI-UHFFFAOYSA-N
XLogP2.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione 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-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione (CID 18071807) is 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione is O=C1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(F)cc21.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione?
The InChIKey is HYSQRBKIXSXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-12-4-1-8(6-17-12)7-18-11-3-2-9(16)5-10(11)13(19)14(18)20/h1-6H,7H2.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione?
1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione has a molecular weight of 290.68 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione is sourced from PubChem (CID 18071807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).