6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid

C12H7Cl3N2O2 — CID 68680448

IUPAC6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)ccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H7Cl3N2O2/c13-5-3-7(10(15)8(14)4-5)6-1-2-9(12(18)19)17-11(6)16/h1-4H,(H2,16,17)(H,18,19)
InChIKeyTULDRVLMSQRRJA-UHFFFAOYSA-N
MW317.56 g/mol
LogP3.99
Rot. Bonds2

About 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid

6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid (PubChem CID 68680448) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
PubChem CID68680448
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)ccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H7Cl3N2O2/c13-5-3-7(10(15)8(14)4-5)6-1-2-9(12(18)19)17-11(6)16/h1-4H,(H2,16,17)(H,18,19)
InChIKeyTULDRVLMSQRRJA-UHFFFAOYSA-N
XLogP3.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid (CID 68680448) is 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid is Nc1nc(C(=O)O)ccc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is TULDRVLMSQRRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-5-3-7(10(15)8(14)4-5)6-1-2-9(12(18)19)17-11(6)16/h1-4H,(H2,16,17)(H,18,19).
What are the key properties of 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid has a molecular weight of 317.56 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 68680448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).