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

C7H3F3INO2 — CID 130080267

IUPAC3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1nc(I)c(F)cc1C(F)F
InChIInChI=1S/C7H3F3INO2/c8-3-1-2(5(9)10)4(7(13)14)12-6(3)11/h1,5H,(H,13,14)
InChIKeyQCVHWKRYEKWZNX-UHFFFAOYSA-N
MW317.00 g/mol
LogP2.46
Rot. Bonds2

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

3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid (PubChem CID 130080267) has the molecular formula C7H3F3INO2 and a molecular weight of 317.00 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
PubChem CID130080267
Molecular FormulaC7H3F3INO2
Molecular Weight317.00 g/mol
Exact Mass316.92
IUPAC Name3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1nc(I)c(F)cc1C(F)F
InChIInChI=1S/C7H3F3INO2/c8-3-1-2(5(9)10)4(7(13)14)12-6(3)11/h1,5H,(H,13,14)
InChIKeyQCVHWKRYEKWZNX-UHFFFAOYSA-N
XLogP2.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.00
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
CID 118826934
3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133100358
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
CID 130080196
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130068422
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
4-(difluoromethyl)-6-iodo-3-methoxypyridine-2-carboxylic acid
CID 118835420
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid (CID 130080267) is 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid is O=C(O)c1nc(I)c(F)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid?
The InChIKey is QCVHWKRYEKWZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO2/c8-3-1-2(5(9)10)4(7(13)14)12-6(3)11/h1,5H,(H,13,14).
What are the key properties of 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid?
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid has a molecular weight of 317.00 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 130080267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).