5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid

C13H9Br2ClN2O3 — CID 103414782

IUPAC5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1cc(Nc2ncc(C(=O)O)cc2Cl)c(Br)cc1Br
InChIInChI=1S/C13H9Br2ClN2O3/c1-21-11-4-10(7(14)3-8(11)15)18-12-9(16)2-6(5-17-12)13(19)20/h2-5H,1H3,(H,17,18)(H,19,20)
InChIKeyWISUSARSAHCBCP-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.71
Rot. Bonds4

About 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid

5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 103414782) has the molecular formula C13H9Br2ClN2O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID103414782
Molecular FormulaC13H9Br2ClN2O3
Molecular Weight436.49 g/mol
Exact Mass433.87
IUPAC Name5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1cc(Nc2ncc(C(=O)O)cc2Cl)c(Br)cc1Br
InChIInChI=1S/C13H9Br2ClN2O3/c1-21-11-4-10(7(14)3-8(11)15)18-12-9(16)2-6(5-17-12)13(19)20/h2-5H,1H3,(H,17,18)(H,19,20)
InChIKeyWISUSARSAHCBCP-UHFFFAOYSA-N
XLogP4.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
CID 107372598
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
CID 114222384
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414759
5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 29295941
5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 79049585
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
CID 81440060
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid (CID 103414782) is 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid is COc1cc(Nc2ncc(C(=O)O)cc2Cl)c(Br)cc1Br.
What is the InChIKey of 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is WISUSARSAHCBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O3/c1-21-11-4-10(7(14)3-8(11)15)18-12-9(16)2-6(5-17-12)13(19)20/h2-5H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid?
5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 436.49 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 103414782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).