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

C16H13NO5 — CID 1475272

IUPACmethyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCOCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC
InChIInChI=1S/C16H13NO5/c1-20-8-12-10(16(19)21-2)7-11-14(18)9-5-3-4-6-13(9)22-15(11)17-12/h3-7H,8H2,1-2H3
InChIKeyUENANUSSLJFSAR-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.27
Rot. Bonds3

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

methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 1475272) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID1475272
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Namemethyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCOCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC
InChIInChI=1S/C16H13NO5/c1-20-8-12-10(16(19)21-2)7-11-14(18)9-5-3-4-6-13(9)22-15(11)17-12/h3-7H,8H2,1-2H3
InChIKeyUENANUSSLJFSAR-UHFFFAOYSA-N
XLogP2.27
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
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 methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 1475272) is methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate is COCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is UENANUSSLJFSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-20-8-12-10(16(19)21-2)7-11-14(18)9-5-3-4-6-13(9)22-15(11)17-12/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 299.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 1475272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).