5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid

C12H9BrClN3O2 — CID 114407056

IUPAC5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H9BrClN3O2/c13-7-5-6(1-2-8(7)14)16-11-9(15)3-4-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyOLLNZFWKCYKTOK-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.52
Rot. Bonds3

About 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid

5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid (PubChem CID 114407056) has the molecular formula C12H9BrClN3O2 and a molecular weight of 342.58 g/mol. Its IUPAC name is 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
PubChem CID114407056
Molecular FormulaC12H9BrClN3O2
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC Name5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H9BrClN3O2/c13-7-5-6(1-2-8(7)14)16-11-9(15)3-4-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyOLLNZFWKCYKTOK-UHFFFAOYSA-N
XLogP3.52
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648
5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107637898
5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
CID 114405229
5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
CID 114405280
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
CID 114405495
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
CID 114405965

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid (CID 114407056) is 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid?
The InChIKey is OLLNZFWKCYKTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2/c13-7-5-6(1-2-8(7)14)16-11-9(15)3-4-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid?
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid has a molecular weight of 342.58 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114407056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).