4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile

C8H3F3N2O — CID 130076214

IUPAC4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
SMILESN#Cc1ncc(F)c(C(F)F)c1C=O
InChIInChI=1S/C8H3F3N2O/c9-5-2-13-6(1-12)4(3-14)7(5)8(10)11/h2-3,8H
InChIKeyAQMLAJUMFGYRJN-UHFFFAOYSA-N
MW200.12 g/mol
LogP1.84
Rot. Bonds2

About 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile

4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile (PubChem CID 130076214) has the molecular formula C8H3F3N2O and a molecular weight of 200.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
PubChem CID130076214
Molecular FormulaC8H3F3N2O
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
SMILESN#Cc1ncc(F)c(C(F)F)c1C=O
InChIInChI=1S/C8H3F3N2O/c9-5-2-13-6(1-12)4(3-14)7(5)8(10)11/h2-3,8H
InChIKeyAQMLAJUMFGYRJN-UHFFFAOYSA-N
XLogP1.84
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile 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

4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
3-(difluoromethyl)-5-fluoro-4-iodopyridine-2-carbonitrile
CID 130075896
5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
CID 130076244
5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
CID 130076826
4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816856
4-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294
6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 119012791
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile (CID 130076214) is 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile is N#Cc1ncc(F)c(C(F)F)c1C=O.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile?
The InChIKey is AQMLAJUMFGYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O/c9-5-2-13-6(1-12)4(3-14)7(5)8(10)11/h2-3,8H.
What are the key properties of 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile?
4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile has a molecular weight of 200.12 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile is sourced from PubChem (CID 130076214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).