5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid

C14H12BrNO4 — CID 63984897

IUPAC5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(Br)cc2C(=O)O)n1
InChIInChI=1S/C14H12BrNO4/c1-19-13-4-2-3-10(16-13)8-20-12-6-5-9(15)7-11(12)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyBWWUHEYZXJZLPG-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.13
Rot. Bonds5

About 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid

5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid (PubChem CID 63984897) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
PubChem CID63984897
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(Br)cc2C(=O)O)n1
InChIInChI=1S/C14H12BrNO4/c1-19-13-4-2-3-10(16-13)8-20-12-6-5-9(15)7-11(12)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyBWWUHEYZXJZLPG-UHFFFAOYSA-N
XLogP3.13
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
CID 63986285
1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 63986899
5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992927
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
5-bromo-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 113437332
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109
5-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63990956
3-methoxy-4-[(6-methoxy-2-pyridinyl)methoxy]benzenecarbothioamide
CID 63986880

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid?
The IUPAC name of 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid (CID 63984897) is 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid?
The canonical SMILES for 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid is COc1cccc(COc2ccc(Br)cc2C(=O)O)n1.
What is the InChIKey of 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid?
The InChIKey is BWWUHEYZXJZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-19-13-4-2-3-10(16-13)8-20-12-6-5-9(15)7-11(12)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid?
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid has a molecular weight of 338.16 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid is sourced from PubChem (CID 63984897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).