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

C14H9NO4 — CID 1475283

IUPAC2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCc1nc2oc3ccccc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C14H9NO4/c1-7-9(14(17)18)6-10-12(16)8-4-2-3-5-11(8)19-13(10)15-7/h2-6H,1H3,(H,17,18)
InChIKeyPFPUNTDSZCGFPG-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.35
Rot. Bonds1

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

2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 1475283) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID1475283
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCc1nc2oc3ccccc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C14H9NO4/c1-7-9(14(17)18)6-10-12(16)8-4-2-3-5-11(8)19-13(10)15-7/h2-6H,1H3,(H,17,18)
InChIKeyPFPUNTDSZCGFPG-UHFFFAOYSA-N
XLogP2.35
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.35
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-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 1475283) is 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is PFPUNTDSZCGFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c1-7-9(14(17)18)6-10-12(16)8-4-2-3-5-11(8)19-13(10)15-7/h2-6H,1H3,(H,17,18).
What are the key properties of 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 1475283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).