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

C16H13NO4 — CID 1475273

IUPACmethyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC
InChIInChI=1S/C16H13NO4/c1-3-12-10(16(19)20-2)8-11-14(18)9-6-4-5-7-13(9)21-15(11)17-12/h4-8H,3H2,1-2H3
InChIKeyCOTUCACLEXLQMW-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.69
Rot. Bonds2

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

methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 1475273) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID1475273
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namemethyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC
InChIInChI=1S/C16H13NO4/c1-3-12-10(16(19)20-2)8-11-14(18)9-6-4-5-7-13(9)21-15(11)17-12/h4-8H,3H2,1-2H3
InChIKeyCOTUCACLEXLQMW-UHFFFAOYSA-N
XLogP2.69
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.69
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-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 1475273) is methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is CCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is COTUCACLEXLQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-3-12-10(16(19)20-2)8-11-14(18)9-6-4-5-7-13(9)21-15(11)17-12/h4-8H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 1475273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).