2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid

C7H5F2IN2O2 — CID 119020796

IUPAC2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
SMILESNc1nc(I)c(C(F)F)cc1C(=O)O
InChIInChI=1S/C7H5F2IN2O2/c8-4(9)2-1-3(7(13)14)6(11)12-5(2)10/h1,4H,(H2,11,12)(H,13,14)
InChIKeyCPSADAGFNUGGME-UHFFFAOYSA-N
MW314.03 g/mol
LogP1.90
Rot. Bonds2

About 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid

2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid (PubChem CID 119020796) has the molecular formula C7H5F2IN2O2 and a molecular weight of 314.03 g/mol. Its IUPAC name is 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
PubChem CID119020796
Molecular FormulaC7H5F2IN2O2
Molecular Weight314.03 g/mol
Exact Mass313.94
IUPAC Name2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
SMILESNc1nc(I)c(C(F)F)cc1C(=O)O
InChIInChI=1S/C7H5F2IN2O2/c8-4(9)2-1-3(7(13)14)6(11)12-5(2)10/h1,4H,(H2,11,12)(H,13,14)
InChIKeyCPSADAGFNUGGME-UHFFFAOYSA-N
XLogP1.90
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.03
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-amino-5-(difluoromethyl)-6-iodopyridine-3-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

Related Compounds

5-(difluoromethyl)-6-iodopyridine-2,3-diamine
CID 118990847
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
2-(bromomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118815747
5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 130105521
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133100823
5-chloro-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 119006864

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid (CID 119020796) is 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid is Nc1nc(I)c(C(F)F)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid?
The InChIKey is CPSADAGFNUGGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O2/c8-4(9)2-1-3(7(13)14)6(11)12-5(2)10/h1,4H,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid?
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid has a molecular weight of 314.03 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 119020796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).