5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid

C12H7Cl2IN2O2 — CID 107607031

IUPAC5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc(I)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2IN2O2/c13-8-4-7(15)1-2-10(8)17-11-9(14)3-6(5-16-11)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyCFTWANWLKNXRMR-UHFFFAOYSA-N
MW409.01 g/mol
LogP4.43
Rot. Bonds3

About 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid

5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid (PubChem CID 107607031) has the molecular formula C12H7Cl2IN2O2 and a molecular weight of 409.01 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
PubChem CID107607031
Molecular FormulaC12H7Cl2IN2O2
Molecular Weight409.01 g/mol
Exact Mass407.89
IUPAC Name5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc(I)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2IN2O2/c13-8-4-7(15)1-2-10(8)17-11-9(14)3-6(5-16-11)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyCFTWANWLKNXRMR-UHFFFAOYSA-N
XLogP4.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.01
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid (CID 107607031) is 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid is O=C(O)c1cnc(Nc2ccc(I)cc2Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid?
The InChIKey is CFTWANWLKNXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2IN2O2/c13-8-4-7(15)1-2-10(8)17-11-9(14)3-6(5-16-11)12(18)19/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid?
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid has a molecular weight of 409.01 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 107607031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).