1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione

C15H10ClFN2O2 — CID 106893894

IUPAC1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione
SMILESCc1cc(F)cc2c1N(Cc1ccncc1Cl)C(=O)C2=O
InChIInChI=1S/C15H10ClFN2O2/c1-8-4-10(17)5-11-13(8)19(15(21)14(11)20)7-9-2-3-18-6-12(9)16/h2-6H,7H2,1H3
InChIKeyRYAIXUMVVILSRT-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.91
Rot. Bonds2

About 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione

1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione (PubChem CID 106893894) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione
PubChem CID106893894
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione
SMILESCc1cc(F)cc2c1N(Cc1ccncc1Cl)C(=O)C2=O
InChIInChI=1S/C15H10ClFN2O2/c1-8-4-10(17)5-11-13(8)19(15(21)14(11)20)7-9-2-3-18-6-12(9)16/h2-6H,7H2,1H3
InChIKeyRYAIXUMVVILSRT-UHFFFAOYSA-N
XLogP2.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-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-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione?
The IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione (CID 106893894) is 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione.
What is the SMILES notation for 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione?
The canonical SMILES for 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione is Cc1cc(F)cc2c1N(Cc1ccncc1Cl)C(=O)C2=O.
What is the InChIKey of 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione?
The InChIKey is RYAIXUMVVILSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-8-4-10(17)5-11-13(8)19(15(21)14(11)20)7-9-2-3-18-6-12(9)16/h2-6H,7H2,1H3.
What are the key properties of 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione?
1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione has a molecular weight of 304.71 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione is sourced from PubChem (CID 106893894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).