ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate

C19H19NO4 — CID 14857376

IUPACethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2
InChIInChI=1S/C19H19NO4/c1-4-23-18(22)12-7-8-16-14(10-12)15(11-19(2,3)24-16)13-6-5-9-20-17(13)21/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyROJPASDVGBOXBV-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.15
Rot. Bonds3

About ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate

ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate (PubChem CID 14857376) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
PubChem CID14857376
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2
InChIInChI=1S/C19H19NO4/c1-4-23-18(22)12-7-8-16-14(10-12)15(11-19(2,3)24-16)13-6-5-9-20-17(13)21/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyROJPASDVGBOXBV-UHFFFAOYSA-N
XLogP3.15
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-2,2-dimethylchromene-6-carboxylate
CID 14857356
ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218078
4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
CID 58406905
methyl 4-(2,6-difluorophenyl)-2,2-dimethylchromene-6-carboxylate
CID 58406516
methyl 2,2-dimethyl-4-(2,4,5-trifluorophenyl)chromene-6-carboxylate
CID 58406737
2,2-dimethyl-4-(2,3,4-trifluorophenyl)chromene-6-carboxylic acid
CID 58407323
ethyl 2,2-dichloro-1,3-benzodioxole-5-carboxylate
CID 52911141
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate
CID 71600825
ethyl 5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxylate
CID 58240799
ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate
CID 166940707
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate?
The IUPAC name of ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate (CID 14857376) is ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate.
What is the SMILES notation for ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate?
The canonical SMILES for ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate is CCOC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2.
What is the InChIKey of ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate?
The InChIKey is ROJPASDVGBOXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-4-23-18(22)12-7-8-16-14(10-12)15(11-19(2,3)24-16)13-6-5-9-20-17(13)21/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate?
ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate is sourced from PubChem (CID 14857376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).