5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid

C22H17NO7 — CID 162660189

IUPAC5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(C(=O)O)c3)oc12
InChIInChI=1S/C22H17NO7/c1-27-15-4-5-16(28-2)20-19(15)18(29-3)7-13-14(24)8-17(30-21(13)20)11-6-12(22(25)26)10-23-9-11/h4-10H,1-3H3,(H,25,26)
InChIKeyCRLCUIGNIXBPIV-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.73
Rot. Bonds5

About 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid

5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid (PubChem CID 162660189) has the molecular formula C22H17NO7 and a molecular weight of 407.38 g/mol. Its IUPAC name is 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid
PubChem CID162660189
Molecular FormulaC22H17NO7
Molecular Weight407.38 g/mol
Exact Mass407.10
IUPAC Name5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(C(=O)O)c3)oc12
InChIInChI=1S/C22H17NO7/c1-27-15-4-5-16(28-2)20-19(15)18(29-3)7-13-14(24)8-17(30-21(13)20)11-6-12(22(25)26)10-23-9-11/h4-10H,1-3H3,(H,25,26)
InChIKeyCRLCUIGNIXBPIV-UHFFFAOYSA-N
XLogP3.73
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid (CID 162660189) is 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(C(=O)O)c3)oc12.
What is the InChIKey of 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid?
The InChIKey is CRLCUIGNIXBPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO7/c1-27-15-4-5-16(28-2)20-19(15)18(29-3)7-13-14(24)8-17(30-21(13)20)11-6-12(22(25)26)10-23-9-11/h4-10H,1-3H3,(H,25,26).
What are the key properties of 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid?
5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid has a molecular weight of 407.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 162660189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).