5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde

C7H3F4NO2 — CID 130092237

IUPAC5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(OC(F)(F)F)ncc1F
InChIInChI=1S/C7H3F4NO2/c8-5-2-12-6(1-4(5)3-13)14-7(9,10)11/h1-3H
InChIKeyYLNBDTMXYBMXTF-UHFFFAOYSA-N
MW209.10 g/mol
LogP1.93
Rot. Bonds2

About 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde

5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 130092237) has the molecular formula C7H3F4NO2 and a molecular weight of 209.10 g/mol. Its IUPAC name is 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID130092237
Molecular FormulaC7H3F4NO2
Molecular Weight209.10 g/mol
Exact Mass209.01
IUPAC Name5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(OC(F)(F)F)ncc1F
InChIInChI=1S/C7H3F4NO2/c8-5-2-12-6(1-4(5)3-13)14-7(9,10)11/h1-3H
InChIKeyYLNBDTMXYBMXTF-UHFFFAOYSA-N
XLogP1.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(trifluoromethoxy)pyrazine
CID 119084225
2-ethenyl-5-fluoropyridine-4-carbaldehyde
CID 74891858
2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119020600
6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134680043
2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119015810
4-fluoro-6-methoxypyridine-3-carbaldehyde
CID 118434403
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095262
2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118831628
5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 131364675
5-fluoro-4-formylpyridine-2-sulfonyl chloride
CID 162341912

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 130092237) is 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde is O=Cc1cc(OC(F)(F)F)ncc1F.
What is the InChIKey of 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is YLNBDTMXYBMXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO2/c8-5-2-12-6(1-4(5)3-13)14-7(9,10)11/h1-3H.
What are the key properties of 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 209.10 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 130092237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).