2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H16ClFN2O3 — CID 3717934

About 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3717934) has the molecular formula C24H16ClFN2O3 and a molecular weight of 434.85 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 3717934
• Molecular Formula: C24H16ClFN2O3
• Molecular Weight: 434.85 g/mol
• Exact Mass: 434.08
• IUPAC Name: 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccccc1F)N(c1ccc(Cl)cn1)C3=O
• InChI: InChI=1S/C24H16ClFN2O3/c1-12-9-16-18(10-13(12)2)31-23-20(22(16)29)21(15-5-3-4-6-17(15)26)28(24(23)30)19-8-7-14(25)11-27-19/h3-11,21H,1-2H3
• InChIKey: BJXAEKWNVLDHBM-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.85
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3717934) is 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccccc1F)N(c1ccc(Cl)cn1)C3=O.

What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is BJXAEKWNVLDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2O3/c1-12-9-16-18(10-13(12)2)31-23-20(22(16)29)21(15-5-3-4-6-17(15)26)28(24(23)30)19-8-7-14(25)11-27-19/h3-11,21H,1-2H3.

What are the key properties of 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 434.85 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3717934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).