5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid

C13H10BrNO3 — CID 117222132

IUPAC5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(-c2cccc(Br)c2)cc1C(=O)O
InChIInChI=1S/C13H10BrNO3/c1-18-12-11(13(16)17)6-9(7-15-12)8-3-2-4-10(14)5-8/h2-7H,1H3,(H,16,17)
InChIKeyBMHJTFNTUHKEBW-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.22
Rot. Bonds3

About 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid

5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid (PubChem CID 117222132) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
PubChem CID117222132
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(-c2cccc(Br)c2)cc1C(=O)O
InChIInChI=1S/C13H10BrNO3/c1-18-12-11(13(16)17)6-9(7-15-12)8-3-2-4-10(14)5-8/h2-7H,1H3,(H,16,17)
InChIKeyBMHJTFNTUHKEBW-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

5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
CID 53222973
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
2-(3-bromophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629363
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid (CID 117222132) is 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid is COc1ncc(-c2cccc(Br)c2)cc1C(=O)O.
What is the InChIKey of 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid?
The InChIKey is BMHJTFNTUHKEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-18-12-11(13(16)17)6-9(7-15-12)8-3-2-4-10(14)5-8/h2-7H,1H3,(H,16,17).
What are the key properties of 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid?
5-(3-bromophenyl)-2-methoxypyridine-3-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 5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 117222132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).