6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid

C13H10BrNO3 — CID 24730144

IUPAC6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(Br)cc1-c1cccc(C(=O)O)n1
InChIInChI=1S/C13H10BrNO3/c1-18-12-6-5-8(14)7-9(12)10-3-2-4-11(15-10)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyJWAKLGXFTHPWGO-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.22
Rot. Bonds3

About 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid

6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 24730144) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID24730144
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(Br)cc1-c1cccc(C(=O)O)n1
InChIInChI=1S/C13H10BrNO3/c1-18-12-6-5-8(14)7-9(12)10-3-2-4-11(15-10)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyJWAKLGXFTHPWGO-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[5-bromo-2-(2,2-dimethylpropoxy)phenyl]phenyl]pyridine-2-carboxylic acid
CID 11561708
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
6-[2-(5-chloro-2-methoxyphenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 21113006
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 82308937
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]propan-2-one
CID 116901573
5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
CID 114405965
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
3-(5-bromo-2-methoxyphenyl)-4-chloro-1H-pyrazole-5-carboxylic acid
CID 116858457
4-(5-bromo-2-methoxyphenyl)pyrimidine-2-carbaldehyde
CID 116900212

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid (CID 24730144) is 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid is COc1ccc(Br)cc1-c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is JWAKLGXFTHPWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-18-12-6-5-8(14)7-9(12)10-3-2-4-11(15-10)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid?
6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 308.13 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 24730144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).