ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate

C18H15NO4 — CID 23248660

IUPACethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)nc1C
InChIInChI=1S/C18H15NO4/c1-3-22-17(20)13-8-9-15(19-11(13)2)14-10-12-6-4-5-7-16(12)23-18(14)21/h4-10H,3H2,1-2H3
InChIKeyYEWVMFYASFZIQL-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.34
Rot. Bonds3

About ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate

ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate (PubChem CID 23248660) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
PubChem CID23248660
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Nameethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)nc1C
InChIInChI=1S/C18H15NO4/c1-3-22-17(20)13-8-9-15(19-11(13)2)14-10-12-6-4-5-7-16(12)23-18(14)21/h4-10H,3H2,1-2H3
InChIKeyYEWVMFYASFZIQL-UHFFFAOYSA-N
XLogP3.34
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
CID 23248661
3-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-6-methyl-2-pyridinyl]chromen-2-one
CID 171933644
3-[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-6-methyl-2-pyridinyl]chromen-2-one
CID 171933643
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917530
[2-oxo-2-(propan-2-ylamino)ethyl] 2-oxochromene-3-carboxylate
CID 7785493
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522
ethyl 4-methyl-2-[[4-(2-oxochromen-3-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 39044279
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate (CID 23248660) is ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)nc1C.
What is the InChIKey of ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate?
The InChIKey is YEWVMFYASFZIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-3-22-17(20)13-8-9-15(19-11(13)2)14-10-12-6-4-5-7-16(12)23-18(14)21/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate?
ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 23248660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).