7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione

C14H8Cl2N2O2 — CID 62470084

IUPAC7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccnc(Cl)c2)c2c(Cl)cccc21
InChIInChI=1S/C14H8Cl2N2O2/c15-10-3-1-2-9-12(10)18(14(20)13(9)19)7-8-4-5-17-11(16)6-8/h1-6H,7H2
InChIKeyFALBFOYNLBPVAD-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.12
Rot. Bonds2

About 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione

7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione (PubChem CID 62470084) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione
PubChem CID62470084
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccnc(Cl)c2)c2c(Cl)cccc21
InChIInChI=1S/C14H8Cl2N2O2/c15-10-3-1-2-9-12(10)18(14(20)13(9)19)7-8-4-5-17-11(16)6-8/h1-6H,7H2
InChIKeyFALBFOYNLBPVAD-UHFFFAOYSA-N
XLogP3.12
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.12
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 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-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 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione?
The IUPAC name of 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione (CID 62470084) is 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione?
The canonical SMILES for 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccnc(Cl)c2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione?
The InChIKey is FALBFOYNLBPVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-10-3-1-2-9-12(10)18(14(20)13(9)19)7-8-4-5-17-11(16)6-8/h1-6H,7H2.
What are the key properties of 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione?
7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione has a molecular weight of 307.14 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(2-chloro-4-pyridinyl)methyl]indole-2,3-dione is sourced from PubChem (CID 62470084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).