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

C7H5F2IN2O2 — CID 130105521

IUPAC6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(I)c(C(F)F)n1
InChIInChI=1S/C7H5F2IN2O2/c8-6(9)5-4(10)2(7(13)14)1-3(11)12-5/h1,6H,(H2,11,12)(H,13,14)
InChIKeyZRUHAYGHSFNOTH-UHFFFAOYSA-N
MW314.03 g/mol
LogP1.90
Rot. Bonds2

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

6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid (PubChem CID 130105521) has the molecular formula C7H5F2IN2O2 and a molecular weight of 314.03 g/mol. Its IUPAC name is 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
PubChem CID130105521
Molecular FormulaC7H5F2IN2O2
Molecular Weight314.03 g/mol
Exact Mass313.94
IUPAC Name6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(I)c(C(F)F)n1
InChIInChI=1S/C7H5F2IN2O2/c8-6(9)5-4(10)2(7(13)14)1-3(11)12-5/h1,6H,(H2,11,12)(H,13,14)
InChIKeyZRUHAYGHSFNOTH-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(difluoromethyl)-3-fluoropyridine-4-carboxylic acid
CID 130104246
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526
6-(difluoromethyl)-5-iodo-4-methylpyridin-2-amine
CID 130105196
6-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carboxamide
CID 130105130
6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130102115
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101376
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
CID 118815145

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid?
The IUPAC name of 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid (CID 130105521) is 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(I)c(C(F)F)n1.
What is the InChIKey of 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid?
The InChIKey is ZRUHAYGHSFNOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O2/c8-6(9)5-4(10)2(7(13)14)1-3(11)12-5/h1,6H,(H2,11,12)(H,13,14).
What are the key properties of 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid?
6-amino-2-(difluoromethyl)-3-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 6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid is sourced from PubChem (CID 130105521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).