6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid

C13H11BrN2O3 — CID 82861205

IUPAC6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1cc(Br)cc(Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C13H11BrN2O3/c1-19-11-5-9(14)4-10(6-11)16-12-3-2-8(7-15-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyBWOSUKOMJVKXKV-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.29
Rot. Bonds4

About 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid

6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 82861205) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID82861205
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1cc(Br)cc(Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C13H11BrN2O3/c1-19-11-5-9(14)4-10(6-11)16-12-3-2-8(7-15-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyBWOSUKOMJVKXKV-UHFFFAOYSA-N
XLogP3.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 82859216
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
CID 55130145
6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
CID 107613303
5-(3-bromo-5-methoxyanilino)pyrazine-2-carbothioamide
CID 82867984
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937
3-[(7-bromo-3-carbamoylquinolin-4-yl)amino]-5-methoxybenzoic acid
CID 67513645
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
3-(3-bromo-5-methoxyanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82859803
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid (CID 82861205) is 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid is COc1cc(Br)cc(Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is BWOSUKOMJVKXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-19-11-5-9(14)4-10(6-11)16-12-3-2-8(7-15-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid?
6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 323.15 g/mol, XLogP of 3.29, 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)pyridine-3-carboxylic acid is sourced from PubChem (CID 82861205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).