3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid

C12H9BrIN3O2 — CID 114261364

IUPAC3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1Nc1ccc(Br)c(I)c1
InChIInChI=1S/C12H9BrIN3O2/c13-8-2-1-6(5-9(8)14)17-11-10(15)7(12(18)19)3-4-16-11/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyIEWLKGMPSLTHPG-UHFFFAOYSA-N
MW434.03 g/mol
LogP3.47
Rot. Bonds3

About 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid

3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid (PubChem CID 114261364) has the molecular formula C12H9BrIN3O2 and a molecular weight of 434.03 g/mol. Its IUPAC name is 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid
PubChem CID114261364
Molecular FormulaC12H9BrIN3O2
Molecular Weight434.03 g/mol
Exact Mass432.89
IUPAC Name3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1Nc1ccc(Br)c(I)c1
InChIInChI=1S/C12H9BrIN3O2/c13-8-2-1-6(5-9(8)14)17-11-10(15)7(12(18)19)3-4-16-11/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyIEWLKGMPSLTHPG-UHFFFAOYSA-N
XLogP3.47
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.03
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-2-(4-bromo-3-chloroanilino)pyridine-4-carboxylate
CID 107615651
2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide
CID 114261361
2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382643
3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114261881
3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 79043675
3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid
CID 82685237
ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate
CID 81280660
N-(4-bromo-3-iodophenyl)-2-chloro-7H-purin-6-amine
CID 114261164
2-amino-3-(4-bromo-3-methylanilino)benzoic acid
CID 113332421
2-amino-5-(4-iodoanilino)benzoic acid
CID 60988591
3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
CID 82813369
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid (CID 114261364) is 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid is Nc1c(C(=O)O)ccnc1Nc1ccc(Br)c(I)c1.
What is the InChIKey of 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid?
The InChIKey is IEWLKGMPSLTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrIN3O2/c13-8-2-1-6(5-9(8)14)17-11-10(15)7(12(18)19)3-4-16-11/h1-5H,15H2,(H,16,17)(H,18,19).
What are the key properties of 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid?
3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid has a molecular weight of 434.03 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114261364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).