4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile

C9H3F5N2O — CID 133106396

IUPAC4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(C=O)c(C(F)(F)F)n1
InChIInChI=1S/C9H3F5N2O/c10-8(11)5-1-4(2-15)16-7(6(5)3-17)9(12,13)14/h1,3,8H
InChIKeyPBSVUVOHOSTLBP-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.72
Rot. Bonds2

About 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile

4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 133106396) has the molecular formula C9H3F5N2O and a molecular weight of 250.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID133106396
Molecular FormulaC9H3F5N2O
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(C=O)c(C(F)(F)F)n1
InChIInChI=1S/C9H3F5N2O/c10-8(11)5-1-4(2-15)16-7(6(5)3-17)9(12,13)14/h1,3,8H
InChIKeyPBSVUVOHOSTLBP-UHFFFAOYSA-N
XLogP2.72
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.72
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

4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816705
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
CID 119002592
4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107406
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
2-(difluoromethyl)-3-formyl-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 133106254
4-(difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106439
6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118838127
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133106205
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130085432
2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 119011244

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 133106396) is 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)F)c(C=O)c(C(F)(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is PBSVUVOHOSTLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O/c10-8(11)5-1-4(2-15)16-7(6(5)3-17)9(12,13)14/h1,3,8H.
What are the key properties of 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile?
4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 250.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133106396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).