7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one

C16H12ClNO3 — CID 83269220

IUPAC7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
SMILESCc1cnc(Cl)cc1Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C16H12ClNO3/c1-9-5-16(19)21-14-6-11(3-4-12(9)14)20-13-7-15(17)18-8-10(13)2/h3-8H,1-2H3
InChIKeyXBXOLLNNOICKPF-UHFFFAOYSA-N
MW301.73 g/mol
LogP4.25
Rot. Bonds2

About 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one

7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one (PubChem CID 83269220) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
PubChem CID83269220
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
SMILESCc1cnc(Cl)cc1Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C16H12ClNO3/c1-9-5-16(19)21-14-6-11(3-4-12(9)14)20-13-7-15(17)18-8-10(13)2/h3-8H,1-2H3
InChIKeyXBXOLLNNOICKPF-UHFFFAOYSA-N
XLogP4.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 66317999
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
2-chloro-5-methyl-4-phenoxypyridine
CID 83269011
4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
CID 80866622
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
2-chloro-4-(4-ethoxyphenoxy)-5-methylpyridine
CID 83268533
sodium bis(4-methyl-2-oxochromen-7-yl) phosphate
CID 23674452
7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 63963411
7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83269248

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one?
The IUPAC name of 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one (CID 83269220) is 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one is Cc1cnc(Cl)cc1Oc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one?
The InChIKey is XBXOLLNNOICKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-9-5-16(19)21-14-6-11(3-4-12(9)14)20-13-7-15(17)18-8-10(13)2/h3-8H,1-2H3.
What are the key properties of 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one?
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one has a molecular weight of 301.73 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one is sourced from PubChem (CID 83269220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).