(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone

C13H10BrNO4 — CID 139764301

IUPAC(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
SMILESCOc1cc(O)c(C(=O)c2ncccc2O)cc1Br
InChIInChI=1S/C13H10BrNO4/c1-19-11-6-10(17)7(5-8(11)14)13(18)12-9(16)3-2-4-15-12/h2-6,16-17H,1H3
InChIKeyHVJBMYRIFIXRDD-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.49
Rot. Bonds3

About (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone

(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 139764301) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
PubChem CID139764301
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
SMILESCOc1cc(O)c(C(=O)c2ncccc2O)cc1Br
InChIInChI=1S/C13H10BrNO4/c1-19-11-6-10(17)7(5-8(11)14)13(18)12-9(16)3-2-4-15-12/h2-6,16-17H,1H3
InChIKeyHVJBMYRIFIXRDD-UHFFFAOYSA-N
XLogP2.49
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374
[2-(5-bromo-4-chloro-2-hydroxybenzoyl)-3-pyridinyl] 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propanimidate
CID 173323162
(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 10682094
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 58913124
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
2-[(5-bromo-2,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 10572066
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 103523114
7-bromo-6-methoxyquinoline
CID 14566897

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone (CID 139764301) is (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone is COc1cc(O)c(C(=O)c2ncccc2O)cc1Br.
What is the InChIKey of (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is HVJBMYRIFIXRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-19-11-6-10(17)7(5-8(11)14)13(18)12-9(16)3-2-4-15-12/h2-6,16-17H,1H3.
What are the key properties of (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone?
(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 324.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 139764301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).