5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid

C13H10BrNO3 — CID 28981361

IUPAC5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCc1ccccn1
InChIInChI=1S/C13H10BrNO3/c14-9-4-5-12(11(7-9)13(16)17)18-8-10-3-1-2-6-15-10/h1-7H,8H2,(H,16,17)
InChIKeyFCULXGMQMHHGKL-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.12
Rot. Bonds4

About 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid

5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid (PubChem CID 28981361) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
PubChem CID28981361
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCc1ccccn1
InChIInChI=1S/C13H10BrNO3/c14-9-4-5-12(11(7-9)13(16)17)18-8-10-3-1-2-6-15-10/h1-7H,8H2,(H,16,17)
InChIKeyFCULXGMQMHHGKL-UHFFFAOYSA-N
XLogP3.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
CID 158421161
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 62074818
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
CID 80601974
5-bromo-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 113437332
2-[(5-bromo-2-pyridinyl)methoxy]-5-fluorobenzoic acid
CID 113454048
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
4-bromo-2-(pyridin-2-ylmethylsulfanyl)benzoic acid
CID 115381742
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone
CID 84600427
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid?
The IUPAC name of 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid (CID 28981361) is 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid?
The canonical SMILES for 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid is O=C(O)c1cc(Br)ccc1OCc1ccccn1.
What is the InChIKey of 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid?
The InChIKey is FCULXGMQMHHGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c14-9-4-5-12(11(7-9)13(16)17)18-8-10-3-1-2-6-15-10/h1-7H,8H2,(H,16,17).
What are the key properties of 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid?
5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid has a molecular weight of 308.13 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 28981361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).