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

C7H3F3INO — CID 118854258

IUPAC2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)ncc(F)c1I
InChIInChI=1S/C7H3F3INO/c8-4-1-12-6(7(9)10)3(2-13)5(4)11/h1-2,7H
InChIKeyGNSJLMXIODJCDE-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.58
Rot. Bonds2

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

2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde (PubChem CID 118854258) has the molecular formula C7H3F3INO and a molecular weight of 301.00 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
PubChem CID118854258
Molecular FormulaC7H3F3INO
Molecular Weight301.00 g/mol
Exact Mass300.92
IUPAC Name2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)ncc(F)c1I
InChIInChI=1S/C7H3F3INO/c8-4-1-12-6(7(9)10)3(2-13)5(4)11/h1-2,7H
InChIKeyGNSJLMXIODJCDE-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

5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
CID 130087544
2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087722
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
5-(chloromethyl)-2-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 130087542
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carboxylic acid
CID 118837564
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
CID 130079888
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130088514
4-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde (CID 118854258) is 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde is O=Cc1c(C(F)F)ncc(F)c1I.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde?
The InChIKey is GNSJLMXIODJCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO/c8-4-1-12-6(7(9)10)3(2-13)5(4)11/h1-2,7H.
What are the key properties of 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde?
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-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 2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 118854258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).