4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde

C7H3F3INO — CID 118829503

IUPAC4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)c(C(F)F)c1I
InChIInChI=1S/C7H3F3INO/c8-3-1-12-4(2-13)6(11)5(3)7(9)10/h1-2,7H
InChIKeyFWKDBVYDDLGAGP-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.58
Rot. Bonds2

About 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde

4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde (PubChem CID 118829503) has the molecular formula C7H3F3INO and a molecular weight of 301.00 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
PubChem CID118829503
Molecular FormulaC7H3F3INO
Molecular Weight301.00 g/mol
Exact Mass300.92
IUPAC Name4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)c(C(F)F)c1I
InChIInChI=1S/C7H3F3INO/c8-3-1-12-4(2-13)6(11)5(3)7(9)10/h1-2,7H
InChIKeyFWKDBVYDDLGAGP-UHFFFAOYSA-N
XLogP2.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680
3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
CID 130079623
4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
CID 118818484
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130087191
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde (CID 118829503) is 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde is O=Cc1ncc(F)c(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde?
The InChIKey is FWKDBVYDDLGAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO/c8-3-1-12-4(2-13)6(11)5(3)7(9)10/h1-2,7H.
What are the key properties of 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde?
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde has a molecular weight of 301.00 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 118829503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).