8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one

C₂₄H₁₄ClNO₅ — CID 137200106

About 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one

8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one (PubChem CID 137200106) has the molecular formula C₂₄H₁₄ClNO₅ and a molecular weight of 431.83 g/mol. Its IUPAC name is 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one.

Molecular Properties

• Compound Name: 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one
• PubChem CID: 137200106
• Molecular Formula: C₂₄H₁₄ClNO₅
• Molecular Weight: 431.83 g/mol
• Exact Mass: 431.06
• IUPAC Name: 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one
• SMILES: O=c1oc2c(Cc3coc4ccc(Cl)cc4c3=O)c(O)ccc2cc1-c1ccccn1
• InChI: InChI=1S/C24H14ClNO5/c25-15-5-7-21-18(11-15)22(28)14(12-30-21)10-17-20(27)6-4-13-9-16(24(29)31-23(13)17)19-3-1-2-8-26-19/h1-9,11-12,27H,10H2
• InChIKey: XVBXDIDGJYFGPY-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 93.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.83
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one?

The IUPAC name of 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one (CID 137200106) is 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one.

What is the SMILES notation for 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one?

The canonical SMILES for 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one is O=c1oc2c(Cc3coc4ccc(Cl)cc4c3=O)c(O)ccc2cc1-c1ccccn1.

What is the InChIKey of 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one?

The InChIKey is XVBXDIDGJYFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNO5/c25-15-5-7-21-18(11-15)22(28)14(12-30-21)10-17-20(27)6-4-13-9-16(24(29)31-23(13)17)19-3-1-2-8-26-19/h1-9,11-12,27H,10H2.

What are the key properties of 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one?

8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one has a molecular weight of 431.83 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(6-chloro-4-oxochromen-3-yl)methyl]-7-hydroxy-3-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 137200106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137200106 — identifiers, structure, computed properties (public domain)

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