1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H14ClFN2O3 — CID 4675379

About 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4675379) has the molecular formula C23H14ClFN2O3 and a molecular weight of 420.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4675379
• Molecular Formula: C23H14ClFN2O3
• Molecular Weight: 420.83 g/mol
• Exact Mass: 420.07
• IUPAC Name: 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc(Cl)c2)n1
• InChI: InChI=1S/C23H14ClFN2O3/c1-12-4-2-7-18(26-12)27-20(13-5-3-6-14(24)10-13)19-21(28)16-11-15(25)8-9-17(16)30-22(19)23(27)29/h2-11,20H,1H3
• InChIKey: VAJYJZFOUSAKMX-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.83
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4675379) is 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc(Cl)c2)n1.

What is the InChIKey of 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is VAJYJZFOUSAKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN2O3/c1-12-4-2-7-18(26-12)27-20(13-5-3-6-14(24)10-13)19-21(28)16-11-15(25)8-9-17(16)30-22(19)23(27)29/h2-11,20H,1H3.

What are the key properties of 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 420.83 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4675379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).