6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid

C11H7BrClN3O2 — CID 114222384

IUPAC6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cncc(Br)c2)c(Cl)c1
InChIInChI=1S/C11H7BrClN3O2/c12-7-2-8(5-14-4-7)16-10-9(13)1-6(3-15-10)11(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyRARBTJLGGRSJFG-UHFFFAOYSA-N
MW328.55 g/mol
LogP3.33
Rot. Bonds3

About 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid

6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid (PubChem CID 114222384) has the molecular formula C11H7BrClN3O2 and a molecular weight of 328.55 g/mol. Its IUPAC name is 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
PubChem CID114222384
Molecular FormulaC11H7BrClN3O2
Molecular Weight328.55 g/mol
Exact Mass326.94
IUPAC Name6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cncc(Br)c2)c(Cl)c1
InChIInChI=1S/C11H7BrClN3O2/c12-7-2-8(5-14-4-7)16-10-9(13)1-6(3-15-10)11(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyRARBTJLGGRSJFG-UHFFFAOYSA-N
XLogP3.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
CID 115378070
5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414782
5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158172
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097
5-amino-6-(5-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 81439419
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid (CID 114222384) is 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid is O=C(O)c1cnc(Nc2cncc(Br)c2)c(Cl)c1.
What is the InChIKey of 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid?
The InChIKey is RARBTJLGGRSJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O2/c12-7-2-8(5-14-4-7)16-10-9(13)1-6(3-15-10)11(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid?
6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid has a molecular weight of 328.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 114222384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).