5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile

C8H3F3N2O — CID 130076244

IUPAC5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(C(F)F)c1C=O
InChIInChI=1S/C8H3F3N2O/c9-7(10)6-5(3-14)4(1-12)2-13-8(6)11/h2-3,7H
InChIKeyDFIRPOXKIPBQNI-UHFFFAOYSA-N
MW200.12 g/mol
LogP1.84
Rot. Bonds2

About 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile

5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile (PubChem CID 130076244) has the molecular formula C8H3F3N2O and a molecular weight of 200.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
PubChem CID130076244
Molecular FormulaC8H3F3N2O
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
SMILESN#Cc1cnc(F)c(C(F)F)c1C=O
InChIInChI=1S/C8H3F3N2O/c9-7(10)6-5(3-14)4(1-12)2-13-8(6)11/h2-3,7H
InChIKeyDFIRPOXKIPBQNI-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
CID 134662387
5-cyano-4-(difluoromethyl)-2-fluoropyridine-3-sulfonamide
CID 134669756
5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
CID 130109713
4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
CID 130076214
4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134675025
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076844
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
5-(bromomethyl)-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130078966
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile (CID 130076244) is 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile is N#Cc1cnc(F)c(C(F)F)c1C=O.
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile?
The InChIKey is DFIRPOXKIPBQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O/c9-7(10)6-5(3-14)4(1-12)2-13-8(6)11/h2-3,7H.
What are the key properties of 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile?
5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-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 5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile is sourced from PubChem (CID 130076244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).