3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid

C7H5F2IN2O2 — CID 130105526

IUPAC3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)cc(I)nc1C(F)F
InChIInChI=1S/C7H5F2IN2O2/c8-6(9)5-4(11)2(7(13)14)1-3(10)12-5/h1,6H,11H2,(H,13,14)
InChIKeyTUUGKDFRTSCODC-UHFFFAOYSA-N
MW314.03 g/mol
LogP1.90
Rot. Bonds2

About 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid

3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid (PubChem CID 130105526) has the molecular formula C7H5F2IN2O2 and a molecular weight of 314.03 g/mol. Its IUPAC name is 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
PubChem CID130105526
Molecular FormulaC7H5F2IN2O2
Molecular Weight314.03 g/mol
Exact Mass313.94
IUPAC Name3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)cc(I)nc1C(F)F
InChIInChI=1S/C7H5F2IN2O2/c8-6(9)5-4(11)2(7(13)14)1-3(10)12-5/h1,6H,11H2,(H,13,14)
InChIKeyTUUGKDFRTSCODC-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'}

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Related Compounds

2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
2-(difluoromethyl)-3-hydroxy-6-iodopyridine-4-carboxamide
CID 118837184
6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 130105521
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118822684
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
6-amino-2-(difluoromethyl)-3-fluoropyridine-4-carboxylic acid
CID 130104246
4-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 130087240
3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133100823
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
CID 118815145

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid (CID 130105526) is 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid is Nc1c(C(=O)O)cc(I)nc1C(F)F.
What is the InChIKey of 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid?
The InChIKey is TUUGKDFRTSCODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O2/c8-6(9)5-4(11)2(7(13)14)1-3(10)12-5/h1,6H,11H2,(H,13,14).
What are the key properties of 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid?
3-amino-2-(difluoromethyl)-6-iodopyridine-4-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 3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid is sourced from PubChem (CID 130105526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).