7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one

C15H10BrNO3 — CID 63963411

IUPAC7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3cccc(Br)n3)ccc12
InChIInChI=1S/C15H10BrNO3/c1-9-7-15(18)20-12-8-10(5-6-11(9)12)19-14-4-2-3-13(16)17-14/h2-8H,1H3
InChIKeyLTBNQEAAGAHHDH-UHFFFAOYSA-N
MW332.15 g/mol
LogP4.05
Rot. Bonds2

About 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one

7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one (PubChem CID 63963411) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
PubChem CID63963411
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3cccc(Br)n3)ccc12
InChIInChI=1S/C15H10BrNO3/c1-9-7-15(18)20-12-8-10(5-6-11(9)12)19-14-4-2-3-13(16)17-14/h2-8H,1H3
InChIKeyLTBNQEAAGAHHDH-UHFFFAOYSA-N
XLogP4.05
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 54.05
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

6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile
CID 64594177
7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
CID 80866622
7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 66317999
6-(4-methyl-2-oxochromen-7-yl)oxy-3-nitropyridine-2-carbonitrile
CID 133499979
2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
CID 13175431
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
7-benzhydryloxy-4-methylchromen-2-one
CID 59603173
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile
CID 7967887

Frequently Asked Questions

What is the IUPAC name of 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one?
The IUPAC name of 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one (CID 63963411) is 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(Oc3cccc(Br)n3)ccc12.
What is the InChIKey of 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one?
The InChIKey is LTBNQEAAGAHHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-9-7-15(18)20-12-8-10(5-6-11(9)12)19-14-4-2-3-13(16)17-14/h2-8H,1H3.
What are the key properties of 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one?
7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one has a molecular weight of 332.15 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one is sourced from PubChem (CID 63963411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).