6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one

C16H12BrNO5 — CID 171642139

IUPAC6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(Br)c(OC)cc3o2)ncc1O
InChIInChI=1S/C16H12BrNO5/c1-21-14-6-13-8(3-9(14)17)11(19)5-15(23-13)10-4-16(22-2)12(20)7-18-10/h3-7,20H,1-2H3
InChIKeyIOXNLQFTRIQFNP-UHFFFAOYSA-N
MW378.18 g/mol
LogP3.34
Rot. Bonds3

About 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one

6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one (PubChem CID 171642139) has the molecular formula C16H12BrNO5 and a molecular weight of 378.18 g/mol. Its IUPAC name is 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one
PubChem CID171642139
Molecular FormulaC16H12BrNO5
Molecular Weight378.18 g/mol
Exact Mass376.99
IUPAC Name6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(Br)c(OC)cc3o2)ncc1O
InChIInChI=1S/C16H12BrNO5/c1-21-14-6-13-8(3-9(14)17)11(19)5-15(23-13)10-4-16(22-2)12(20)7-18-10/h3-7,20H,1-2H3
InChIKeyIOXNLQFTRIQFNP-UHFFFAOYSA-N
XLogP3.34
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dibromo-2-(4,5-dimethoxy-2-pyridinyl)chromen-4-one
CID 162359792
6,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 71436763
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
6-bromo-4-ethyl-7-methoxychromen-2-one
CID 130464576
6-bromo-7-(methoxymethoxy)-2-methylchromen-4-one
CID 154676911
7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one
CID 100964512
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
methyl 5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 162342579
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 127031650
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
CID 101450486

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one?
The IUPAC name of 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one (CID 171642139) is 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one.
What is the SMILES notation for 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one?
The canonical SMILES for 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one is COc1cc(-c2cc(=O)c3cc(Br)c(OC)cc3o2)ncc1O.
What is the InChIKey of 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one?
The InChIKey is IOXNLQFTRIQFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO5/c1-21-14-6-13-8(3-9(14)17)11(19)5-15(23-13)10-4-16(22-2)12(20)7-18-10/h3-7,20H,1-2H3.
What are the key properties of 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one?
6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one has a molecular weight of 378.18 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-hydroxy-4-methoxy-2-pyridinyl)-7-methoxychromen-4-one is sourced from PubChem (CID 171642139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).