3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one

C17H13NO3 — CID 23248661

IUPAC3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
SMILESCC(=O)c1ccc(-c2cc3ccccc3oc2=O)nc1C
InChIInChI=1S/C17H13NO3/c1-10-13(11(2)19)7-8-15(18-10)14-9-12-5-3-4-6-16(12)21-17(14)20/h3-9H,1-2H3
InChIKeyLUHQMEIHDMZVBJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.37
Rot. Bonds2

About 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one

3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one (PubChem CID 23248661) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one.

Molecular Properties

Compound Name3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
PubChem CID23248661
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
SMILESCC(=O)c1ccc(-c2cc3ccccc3oc2=O)nc1C
InChIInChI=1S/C17H13NO3/c1-10-13(11(2)19)7-8-15(18-10)14-9-12-5-3-4-6-16(12)21-17(14)20/h3-9H,1-2H3
InChIKeyLUHQMEIHDMZVBJ-UHFFFAOYSA-N
XLogP3.37
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
CID 23248660
3-[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-6-methyl-2-pyridinyl]chromen-2-one
CID 171933643
3-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-6-methyl-2-pyridinyl]chromen-2-one
CID 171933644
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 75435887
3-[4-acetyl-1-(4-chlorophenyl)-5-methylpyrrol-2-yl]chromen-2-one
CID 102442482
3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one
CID 10949283
3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one
CID 56834421
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
3-(1,2,5-oxadiazol-3-yl)chromen-2-one
CID 141396662
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
3-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900301
3-(2-hydroxyphenyl)chromen-2-one
CID 819892

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one?
The IUPAC name of 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one (CID 23248661) is 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one.
What is the SMILES notation for 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one?
The canonical SMILES for 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one is CC(=O)c1ccc(-c2cc3ccccc3oc2=O)nc1C.
What is the InChIKey of 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one?
The InChIKey is LUHQMEIHDMZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-10-13(11(2)19)7-8-15(18-10)14-9-12-5-3-4-6-16(12)21-17(14)20/h3-9H,1-2H3.
What are the key properties of 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one?
3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one has a molecular weight of 279.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one is sourced from PubChem (CID 23248661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).