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

C12H9BrClN3O2 — CID 114195437

IUPAC2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(Nc2cccc(Cl)c2Br)cn1
InChIInChI=1S/C12H9BrClN3O2/c13-11-7(14)2-1-3-8(11)17-9-5-16-10(15)4-6(9)12(18)19/h1-5,17H,(H2,15,16)(H,18,19)
InChIKeyNSSPKNQPNXAXSD-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.52
Rot. Bonds3

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

2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid (PubChem CID 114195437) has the molecular formula C12H9BrClN3O2 and a molecular weight of 342.58 g/mol. Its IUPAC name is 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid
PubChem CID114195437
Molecular FormulaC12H9BrClN3O2
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC Name2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(Nc2cccc(Cl)c2Br)cn1
InChIInChI=1S/C12H9BrClN3O2/c13-11-7(14)2-1-3-8(11)17-9-5-16-10(15)4-6(9)12(18)19/h1-5,17H,(H2,15,16)(H,18,19)
InChIKeyNSSPKNQPNXAXSD-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid (CID 114195437) is 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(Nc2cccc(Cl)c2Br)cn1.
What is the InChIKey of 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid?
The InChIKey is NSSPKNQPNXAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2/c13-11-7(14)2-1-3-8(11)17-9-5-16-10(15)4-6(9)12(18)19/h1-5,17H,(H2,15,16)(H,18,19).
What are the key properties of 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid?
2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-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 2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114195437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).