3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid

C7H4F2INO3 — CID 130082872

IUPAC3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1c(O)cnc(I)c1C(F)F
InChIInChI=1S/C7H4F2INO3/c8-5(9)4-3(7(13)14)2(12)1-11-6(4)10/h1,5,12H,(H,13,14)
InChIKeyBKNGWRPEJOJAJW-UHFFFAOYSA-N
MW315.01 g/mol
LogP2.03
Rot. Bonds2

About 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid

3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid (PubChem CID 130082872) has the molecular formula C7H4F2INO3 and a molecular weight of 315.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid
PubChem CID130082872
Molecular FormulaC7H4F2INO3
Molecular Weight315.01 g/mol
Exact Mass314.92
IUPAC Name3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1c(O)cnc(I)c1C(F)F
InChIInChI=1S/C7H4F2INO3/c8-5(9)4-3(7(13)14)2(12)1-11-6(4)10/h1,5,12H,(H,13,14)
InChIKeyBKNGWRPEJOJAJW-UHFFFAOYSA-N
XLogP2.03
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.01
LogP ≤ 52.03
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

3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid
CID 130083946
3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide
CID 130100748
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-sulfonyl chloride
CID 130083037
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162
2-[4-bromo-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 130068481
3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
CID 133102626
3-(bromomethyl)-5-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087232
2-amino-3-(difluoromethyl)-5-hydroxypyridine-4-carboxamide
CID 119009453
2-[4-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 118799469
3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133102250
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid (CID 130082872) is 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid is O=C(O)c1c(O)cnc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid?
The InChIKey is BKNGWRPEJOJAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO3/c8-5(9)4-3(7(13)14)2(12)1-11-6(4)10/h1,5,12H,(H,13,14).
What are the key properties of 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid?
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid has a molecular weight of 315.01 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid is sourced from PubChem (CID 130082872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).