4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile

C9H3F5N2O — CID 133106249

IUPAC4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)ncc(C=O)c1C(F)F
InChIInChI=1S/C9H3F5N2O/c10-8(11)6-4(3-17)2-16-7(5(6)1-15)9(12,13)14/h2-3,8H
InChIKeyWPVUHXALAHHKEH-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.72
Rot. Bonds2

About 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile

4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133106249) has the molecular formula C9H3F5N2O and a molecular weight of 250.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133106249
Molecular FormulaC9H3F5N2O
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)ncc(C=O)c1C(F)F
InChIInChI=1S/C9H3F5N2O/c10-8(11)6-4(3-17)2-16-7(5(6)1-15)9(12,13)14/h2-3,8H
InChIKeyWPVUHXALAHHKEH-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-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122
methyl 5-cyano-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133106211
3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118822043
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816856
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118999761
3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130087741
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079154
2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
CID 118800032

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile (CID 133106249) is 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)ncc(C=O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WPVUHXALAHHKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O/c10-8(11)6-4(3-17)2-16-7(5(6)1-15)9(12,13)14/h2-3,8H.
What are the key properties of 4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile?
4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-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-2-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133106249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).