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

C7H5F2IN2O2 — CID 119023037

IUPAC6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)c(I)cc1C(F)F
InChIInChI=1S/C7H5F2IN2O2/c8-5(9)2-1-3(10)4(7(13)14)12-6(2)11/h1,5H,(H2,11,12)(H,13,14)
InChIKeyNKAPZSSLHBBJAI-UHFFFAOYSA-N
MW314.03 g/mol
LogP1.90
Rot. Bonds2

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

6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid (PubChem CID 119023037) has the molecular formula C7H5F2IN2O2 and a molecular weight of 314.03 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
PubChem CID119023037
Molecular FormulaC7H5F2IN2O2
Molecular Weight314.03 g/mol
Exact Mass313.94
IUPAC Name6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)c(I)cc1C(F)F
InChIInChI=1S/C7H5F2IN2O2/c8-5(9)2-1-3(10)4(7(13)14)12-6(2)11/h1,5H,(H2,11,12)(H,13,14)
InChIKeyNKAPZSSLHBBJAI-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

methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
CID 118826934
3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133100358
6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylic acid
CID 118809209
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 119023564

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The IUPAC name of 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid (CID 119023037) is 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid is Nc1nc(C(=O)O)c(I)cc1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The InChIKey is NKAPZSSLHBBJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O2/c8-5(9)2-1-3(10)4(7(13)14)12-6(2)11/h1,5H,(H2,11,12)(H,13,14).
What are the key properties of 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
6-amino-5-(difluoromethyl)-3-iodopyridine-2-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-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 119023037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).