4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid

C12H7ClFIN2O2 — CID 78319096

IUPAC4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc(I)cc2)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H7ClFIN2O2/c13-7-9(16)8(14)10(17-11(7)12(18)19)5-1-3-6(15)4-2-5/h1-4H,(H2,16,17)(H,18,19)
InChIKeyQNBXWRJAPYSSAH-UHFFFAOYSA-N
MW392.56 g/mol
LogP3.43
Rot. Bonds2

About 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid

4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid (PubChem CID 78319096) has the molecular formula C12H7ClFIN2O2 and a molecular weight of 392.56 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
PubChem CID78319096
Molecular FormulaC12H7ClFIN2O2
Molecular Weight392.56 g/mol
Exact Mass391.92
IUPAC Name4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc(I)cc2)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H7ClFIN2O2/c13-7-9(16)8(14)10(17-11(7)12(18)19)5-1-3-6(15)4-2-5/h1-4H,(H2,16,17)(H,18,19)
InChIKeyQNBXWRJAPYSSAH-UHFFFAOYSA-N
XLogP3.43
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.56
LogP ≤ 53.43
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 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid (CID 78319096) is 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid is Nc1c(F)c(-c2ccc(I)cc2)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid?
The InChIKey is QNBXWRJAPYSSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFIN2O2/c13-7-9(16)8(14)10(17-11(7)12(18)19)5-1-3-6(15)4-2-5/h1-4H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid?
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid has a molecular weight of 392.56 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 78319096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).