2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C15H11NO4 — CID 1478334

IUPAC2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCc1ccc2oc3nc(C)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C15H11NO4/c1-7-3-4-12-10(5-7)13(17)11-6-9(15(18)19)8(2)16-14(11)20-12/h3-6H,1-2H3,(H,18,19)
InChIKeyWTHFLZWFSOXZPR-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.66
Rot. Bonds1

About 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 1478334) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID1478334
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCc1ccc2oc3nc(C)c(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C15H11NO4/c1-7-3-4-12-10(5-7)13(17)11-6-9(15(18)19)8(2)16-14(11)20-12/h3-6H,1-2H3,(H,18,19)
InChIKeyWTHFLZWFSOXZPR-UHFFFAOYSA-N
XLogP2.66
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 1478334) is 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Cc1ccc2oc3nc(C)c(C(=O)O)cc3c(=O)c2c1.
What is the InChIKey of 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is WTHFLZWFSOXZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-7-3-4-12-10(5-7)13(17)11-6-9(15(18)19)8(2)16-14(11)20-12/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 1478334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).