7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid

C15H11NO6 — CID 73349168

IUPAC7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid
SMILESCOc1c(O)cc2oc3cc(C)ncc3c(=O)c2c1C(=O)O
InChIInChI=1S/C15H11NO6/c1-6-3-9-7(5-16-6)13(18)11-10(22-9)4-8(17)14(21-2)12(11)15(19)20/h3-5,17H,1-2H3,(H,19,20)
InChIKeyYKFKVOZQQDHYCE-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.06
Rot. Bonds2

About 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid

7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid (PubChem CID 73349168) has the molecular formula C15H11NO6 and a molecular weight of 301.25 g/mol. Its IUPAC name is 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid
PubChem CID73349168
Molecular FormulaC15H11NO6
Molecular Weight301.25 g/mol
Exact Mass301.06
IUPAC Name7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid
SMILESCOc1c(O)cc2oc3cc(C)ncc3c(=O)c2c1C(=O)O
InChIInChI=1S/C15H11NO6/c1-6-3-9-7(5-16-6)13(18)11-10(22-9)4-8(17)14(21-2)12(11)15(19)20/h3-5,17H,1-2H3,(H,19,20)
InChIKeyYKFKVOZQQDHYCE-UHFFFAOYSA-N
XLogP2.06
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid?
The IUPAC name of 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid (CID 73349168) is 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid.
What is the SMILES notation for 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid?
The canonical SMILES for 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid is COc1c(O)cc2oc3cc(C)ncc3c(=O)c2c1C(=O)O.
What is the InChIKey of 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid?
The InChIKey is YKFKVOZQQDHYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO6/c1-6-3-9-7(5-16-6)13(18)11-10(22-9)4-8(17)14(21-2)12(11)15(19)20/h3-5,17H,1-2H3,(H,19,20).
What are the key properties of 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid?
7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid has a molecular weight of 301.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid is sourced from PubChem (CID 73349168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).