6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid

C14H13BrN2O3 — CID 82859216

IUPAC6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
SMILESCOc1cc(Br)cc(Nc2ccc(C(=O)O)c(C)n2)c1
InChIInChI=1S/C14H13BrN2O3/c1-8-12(14(18)19)3-4-13(16-8)17-10-5-9(15)6-11(7-10)20-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyBWAHZZWBNOWDNP-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.60
Rot. Bonds4

About 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid

6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid (PubChem CID 82859216) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
PubChem CID82859216
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
SMILESCOc1cc(Br)cc(Nc2ccc(C(=O)O)c(C)n2)c1
InChIInChI=1S/C14H13BrN2O3/c1-8-12(14(18)19)3-4-13(16-8)17-10-5-9(15)6-11(7-10)20-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyBWAHZZWBNOWDNP-UHFFFAOYSA-N
XLogP3.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 107575455
6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 82861205
2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82860701
6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 82862442
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114766532
6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 107577295
4-amino-2-(3-bromo-5-methoxyanilino)-N-methylbenzamide
CID 82859549
3-(3-bromo-5-methoxyanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82859803
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 82859108
N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid (CID 82859216) is 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid is COc1cc(Br)cc(Nc2ccc(C(=O)O)c(C)n2)c1.
What is the InChIKey of 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid?
The InChIKey is BWAHZZWBNOWDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-8-12(14(18)19)3-4-13(16-8)17-10-5-9(15)6-11(7-10)20-2/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid?
6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid has a molecular weight of 337.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 82859216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).