5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde

C7H4F2INO2 — CID 130082840

IUPAC5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(I)c(C(F)F)cc1O
InChIInChI=1S/C7H4F2INO2/c8-6(9)3-1-5(13)4(2-12)11-7(3)10/h1-2,6,13H
InChIKeyGQPMXWPQUWRSDM-UHFFFAOYSA-N
MW299.01 g/mol
LogP2.14
Rot. Bonds2

About 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde

5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde (PubChem CID 130082840) has the molecular formula C7H4F2INO2 and a molecular weight of 299.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
PubChem CID130082840
Molecular FormulaC7H4F2INO2
Molecular Weight299.01 g/mol
Exact Mass298.93
IUPAC Name5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(I)c(C(F)F)cc1O
InChIInChI=1S/C7H4F2INO2/c8-6(9)3-1-5(13)4(2-12)11-7(3)10/h1-2,6,13H
InChIKeyGQPMXWPQUWRSDM-UHFFFAOYSA-N
XLogP2.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
CID 130084419
5-(difluoromethyl)-6-iodo-2-methylpyridin-3-ol
CID 130082529
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130068407
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
CID 130086218
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
CID 130077549
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde
CID 130072655
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde (CID 130082840) is 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde is O=Cc1nc(I)c(C(F)F)cc1O.
What is the InChIKey of 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde?
The InChIKey is GQPMXWPQUWRSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO2/c8-6(9)3-1-5(13)4(2-12)11-7(3)10/h1-2,6,13H.
What are the key properties of 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde?
5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde has a molecular weight of 299.01 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130082840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).