methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

C15H11NO4 — CID 1475275

IUPACmethyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1C
InChIInChI=1S/C15H11NO4/c1-8-10(15(18)19-2)7-11-13(17)9-5-3-4-6-12(9)20-14(11)16-8/h3-7H,1-2H3
InChIKeyMTSZVZPLJICGIH-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.44
Rot. Bonds1

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

methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 1475275) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID1475275
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namemethyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1C
InChIInChI=1S/C15H11NO4/c1-8-10(15(18)19-2)7-11-13(17)9-5-3-4-6-12(9)20-14(11)16-8/h3-7H,1-2H3
InChIKeyMTSZVZPLJICGIH-UHFFFAOYSA-N
XLogP2.44
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 1475275) is methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is COC(=O)c1cc2c(=O)c3ccccc3oc2nc1C.
What is the InChIKey of methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is MTSZVZPLJICGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-8-10(15(18)19-2)7-11-13(17)9-5-3-4-6-12(9)20-14(11)16-8/h3-7H,1-2H3.
What are the key properties of methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 1475275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).