6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde

C8H7F3NO2P — CID 138702850

IUPAC6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(OCC(F)(F)P)c(F)c1
InChIInChI=1S/C8H7F3NO2P/c9-6-1-5(3-13)2-12-7(6)14-4-8(10,11)15/h1-3H,4,15H2
InChIKeyOWRBJUOEDDMIOK-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.88
Rot. Bonds4

About 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde

6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde (PubChem CID 138702850) has the molecular formula C8H7F3NO2P and a molecular weight of 237.12 g/mol. Its IUPAC name is 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde
PubChem CID138702850
Molecular FormulaC8H7F3NO2P
Molecular Weight237.12 g/mol
Exact Mass237.02
IUPAC Name6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(OCC(F)(F)P)c(F)c1
InChIInChI=1S/C8H7F3NO2P/c9-6-1-5(3-13)2-12-7(6)14-4-8(10,11)15/h1-3H,4,15H2
InChIKeyOWRBJUOEDDMIOK-UHFFFAOYSA-N
XLogP1.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-6-propan-2-yloxypyridine-3-carbaldehyde
CID 131547635
6-amino-5-fluoropyridine-3-carbaldehyde
CID 131028659
5-fluoro-6-[4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]pyridine-3-carbaldehyde
CID 142414995
6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane
CID 177047075
3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 161358659
5-methyl-6-(4,4,4-trifluorobutoxy)pyridine-3-carbaldehyde
CID 82788792
5,6-dichloropyridine-3-carbaldehyde
CID 11535654
6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134631360
6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 82716271
4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
CID 79891324
5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 58001739
7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde
CID 122503518

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde?
The IUPAC name of 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde (CID 138702850) is 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde is O=Cc1cnc(OCC(F)(F)P)c(F)c1.
What is the InChIKey of 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde?
The InChIKey is OWRBJUOEDDMIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3NO2P/c9-6-1-5(3-13)2-12-7(6)14-4-8(10,11)15/h1-3H,4,15H2.
What are the key properties of 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde?
6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde has a molecular weight of 237.12 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoro-2-phosphanylethoxy)-5-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 138702850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).