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

C7H4F3NO2 — CID 130079623

IUPAC3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1ncc(O)c(F)c1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-6-4(13)1-11-3(2-12)5(6)7(9)10/h1-2,7,13H
InChIKeyBAHHVZVSRXNBJM-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.68
Rot. Bonds2

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

3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde (PubChem CID 130079623) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
PubChem CID130079623
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1ncc(O)c(F)c1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-6-4(13)1-11-3(2-12)5(6)7(9)10/h1-2,7,13H
InChIKeyBAHHVZVSRXNBJM-UHFFFAOYSA-N
XLogP1.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
5-(difluoromethyl)-4,6-difluoropyridin-3-ol
CID 130099609
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680
6-chloro-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 118998226
5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076844
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
CID 130081157

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde (CID 130079623) is 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde is O=Cc1ncc(O)c(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde?
The InChIKey is BAHHVZVSRXNBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-6-4(13)1-11-3(2-12)5(6)7(9)10/h1-2,7,13H.
What are the key properties of 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde?
3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde is sourced from PubChem (CID 130079623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).