2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid

C14H13IN2O2 — CID 113380098

IUPAC2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Nc2ccc(I)cc2)n1
InChIInChI=1S/C14H13IN2O2/c1-2-11-7-9(14(18)19)8-13(16-11)17-12-5-3-10(15)4-6-12/h3-8H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyUHNNAKPHAAFLGQ-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.69
Rot. Bonds4

About 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid

2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid (PubChem CID 113380098) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid
PubChem CID113380098
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC Name2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Nc2ccc(I)cc2)n1
InChIInChI=1S/C14H13IN2O2/c1-2-11-7-9(14(18)19)8-13(16-11)17-12-5-3-10(15)4-6-12/h3-8H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyUHNNAKPHAAFLGQ-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.69
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 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid (CID 113380098) is 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(Nc2ccc(I)cc2)n1.
What is the InChIKey of 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid?
The InChIKey is UHNNAKPHAAFLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-2-11-7-9(14(18)19)8-13(16-11)17-12-5-3-10(15)4-6-12/h3-8H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid?
2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid has a molecular weight of 368.17 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 113380098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).