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

C7H3F3INO — CID 130080238

IUPAC5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(F)ncc(C(F)F)c1I
InChIInChI=1S/C7H3F3INO/c8-6(9)3-1-12-7(10)4(2-13)5(3)11/h1-2,6H
InChIKeyLPPPCIOUUXZXTD-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.58
Rot. Bonds2

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

5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde (PubChem CID 130080238) has the molecular formula C7H3F3INO and a molecular weight of 301.00 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
PubChem CID130080238
Molecular FormulaC7H3F3INO
Molecular Weight301.00 g/mol
Exact Mass300.92
IUPAC Name5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(F)ncc(C(F)F)c1I
InChIInChI=1S/C7H3F3INO/c8-6(9)3-1-12-7(10)4(2-13)5(3)11/h1-2,6H
InChIKeyLPPPCIOUUXZXTD-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': '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)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
CID 118833462
5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde
CID 130086220
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine
CID 130079918
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
CID 118818484
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde (CID 130080238) is 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde is O=Cc1c(F)ncc(C(F)F)c1I.
What is the InChIKey of 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde?
The InChIKey is LPPPCIOUUXZXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO/c8-6(9)3-1-12-7(10)4(2-13)5(3)11/h1-2,6H.
What are the key properties of 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde?
5-(difluoromethyl)-2-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 5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 130080238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).