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

C9H3F5N2O — CID 118822043

IUPAC3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cnc(C=O)c1C(F)F
InChIInChI=1S/C9H3F5N2O/c10-8(11)7-4(1-15)5(9(12,13)14)2-16-6(7)3-17/h2-3,8H
InChIKeyRXUKLDIFHYXLND-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.72
Rot. Bonds2

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

3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 118822043) has the molecular formula C9H3F5N2O and a molecular weight of 250.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID118822043
Molecular FormulaC9H3F5N2O
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cnc(C=O)c1C(F)F
InChIInChI=1S/C9H3F5N2O/c10-8(11)7-4(1-15)5(9(12,13)14)2-16-6(7)3-17/h2-3,8H
InChIKeyRXUKLDIFHYXLND-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

5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118990949
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118846177
4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106249
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
ethyl 4-cyano-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133106098
3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108997
4-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294
4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076844

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile (CID 118822043) is 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1c(C(F)(F)F)cnc(C=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is RXUKLDIFHYXLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O/c10-8(11)7-4(1-15)5(9(12,13)14)2-16-6(7)3-17/h2-3,8H.
What are the key properties of 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile?
3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-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 3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 118822043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).